Name: Name:(5R)-2-methyl-3-oxo-5-(prop-1-en-2-yl)cyclohexane-1-carbonitrile
Brand: Angene
SKU: AG01EM4L
Rating: 90 (10 reviews)

(5R)-2-methyl-3-oxo-5-(prop-1-en-2-yl)cyclohexane-1-carbonitrile

CAS No.:

1444317-28-5

Catalog Number:

AG01EM4L

Molecular Formula:

C11H15NO

Molecular Weight:

177.2429

Catalog Number:

AG01EM4L

Chemical Name:

(5R)-2-methyl-3-oxo-5-(prop-1-en-2-yl)cyclohexane-1-carbonitrile

CAS Number:

1444317-28-5

Molecular Formula:

C11H15NO

Molecular Weight:

177.2429

MDL Number:

MFCD31629289

IUPAC Name:

(5R)-2-methyl-3-oxo-5-prop-1-en-2-ylcyclohexane-1-carbonitrile

InChI:

InChI=1S/C11H15NO/c1-7(2)9-4-10(6-12)8(3)11(13)5-9/h8-10H,1,4-5H2,2-3H3/t8?,9-,10?/m1/s1

InChI Key:

VRUMBVSOGMYXKH-HWOCKDDLSA-N

SMILES:

N#CC1C[C@H](CC(=O)C1C)C(=C)C

Complexity:

284

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

177.115g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

177.247g/mol

Monoisotopic Mass:

177.115g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

40.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.9