Home Carbonyls 1-(1H-pyrrole-2-carbonyl)-1,4-diazepane

1-(1H-pyrrole-2-carbonyl)-1,4-diazepane

CAS No.:
1038285-60-7
Catalog Number:
AG01A99W
Molecular Formula:
C10H15N3O
Molecular Weight:
193.2456
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Product Description
Catalog Number:
AG01A99W
Chemical Name:
1-(1H-pyrrole-2-carbonyl)-1,4-diazepane
CAS Number:
1038285-60-7
Molecular Formula:
C10H15N3O
Molecular Weight:
193.2456
MDL Number:
MFCD11167906
IUPAC Name:
1,4-diazepan-1-yl(1H-pyrrol-2-yl)methanone
InChI:
InChI=1S/C10H15N3O/c14-10(9-3-1-5-12-9)13-7-2-4-11-6-8-13/h1,3,5,11-12H,2,4,6-8H2
InChI Key:
HETUQNASEOSQAY-UHFFFAOYSA-N
SMILES:
O=C(c1[nH]ccc1)N1CCNCCC1
Properties
Complexity:
208  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.122g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
193.25g/mol
Monoisotopic Mass:
193.122g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
48.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  
Properties