2-amino-3-benzoyl-6,7-dihydro-5H-pyrrolizine-1-carbonitrile

C15H13N3O — CID 741280

IUPAC2-amino-3-benzoyl-6,7-dihydro-5H-pyrrolizine-1-carbonitrile
SMILESN#Cc1c(N)c(C(=O)c2ccccc2)n2c1CCC2
InChIInChI=1S/C15H13N3O/c16-9-11-12-7-4-8-18(12)14(13(11)17)15(19)10-5-2-1-3-6-10/h1-3,5-6H,4,7-8,17H2
InChIKeyFBXJWKUKZNYWEE-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.12
Rot. Bonds2

About 2-amino-3-benzoyl-6,7-dihydro-5H-pyrrolizine-1-carbonitrile

2-amino-3-benzoyl-6,7-dihydro-5H-pyrrolizine-1-carbonitrile (PubChem CID 741280) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-amino-3-benzoyl-6,7-dihydro-5H-pyrrolizine-1-carbonitrile.

Molecular Properties

Compound Name2-amino-3-benzoyl-6,7-dihydro-5H-pyrrolizine-1-carbonitrile
PubChem CID741280
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC Name2-amino-3-benzoyl-6,7-dihydro-5H-pyrrolizine-1-carbonitrile
SMILESN#Cc1c(N)c(C(=O)c2ccccc2)n2c1CCC2
InChIInChI=1S/C15H13N3O/c16-9-11-12-7-4-8-18(12)14(13(11)17)15(19)10-5-2-1-3-6-10/h1-3,5-6H,4,7-8,17H2
InChIKeyFBXJWKUKZNYWEE-UHFFFAOYSA-N
XLogP2.12
TPSA71.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1H-Pyrimido(5,4-a)pyrrolizin-4(5H)-one, 6,7-dihydro-9-benzoyl-
CID 135463984
Phenyl(2,3-dihydro-1H-pyrrolizin-5-yl)methanone
CID 71209516
N-acetyl-N-(2-benzoyl-4-cyano-5-methyl-1-phenylpyrrol-3-yl)acetamide
CID 657783
2-Amino-3-benzoyl-5,6,7,8-tetrahydroindolizine-1-carbonitrile
CID 759944
N-(5-benzoyl-7-cyano-2,3-dihydro-1H-pyrrolizin-6-yl)-2-chloroacetamide
CID 872979
1-cyano-N-phenyl-2-(pyridin-3-ylmethylideneamino)-6,7-dihydro-5H-pyrrolizine-3-carboxamide
CID 137652097
1-cyano-N-phenyl-2-(propylideneamino)-6,7-dihydro-5H-pyrrolizine-3-carboxamide
CID 155545512
1-cyano-N-(4-methylphenyl)-2-(propylideneamino)-6,7-dihydro-5H-pyrrolizine-3-carboxamide
CID 155564403
4-(4-fluorophenyl)-2,5-dioxo-3,7,8,9-tetrahydro-1H-[1,4]diazepino[5,6-b]pyrrolizine-10-carbonitrile
CID 164608771
2-(4-fluorophenyl)-1-oxo-7,8-dihydro-6H-pyrimido[4,5-b]pyrrolizine-5-carbonitrile
CID 164618573
2-(4-fluorophenyl)-3-methyl-1-oxo-7,8-dihydro-6H-pyrimido[4,5-b]pyrrolizine-5-carbonitrile
CID 164622796
N'-[4-cyano-5-methyl-1-phenyl-2-(phenylcarbonyl)-1H-pyrrol-3-yl]-N,N-dimethylimidoformamide
CID 2836474

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-benzoyl-6,7-dihydro-5H-pyrrolizine-1-carbonitrile?
The IUPAC name of 2-amino-3-benzoyl-6,7-dihydro-5H-pyrrolizine-1-carbonitrile (CID 741280) is 2-amino-3-benzoyl-6,7-dihydro-5H-pyrrolizine-1-carbonitrile.
What is the SMILES notation for 2-amino-3-benzoyl-6,7-dihydro-5H-pyrrolizine-1-carbonitrile?
The canonical SMILES for 2-amino-3-benzoyl-6,7-dihydro-5H-pyrrolizine-1-carbonitrile is N#Cc1c(N)c(C(=O)c2ccccc2)n2c1CCC2.
What is the InChIKey of 2-amino-3-benzoyl-6,7-dihydro-5H-pyrrolizine-1-carbonitrile?
The InChIKey is FBXJWKUKZNYWEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O/c16-9-11-12-7-4-8-18(12)14(13(11)17)15(19)10-5-2-1-3-6-10/h1-3,5-6H,4,7-8,17H2.
What are the key properties of 2-amino-3-benzoyl-6,7-dihydro-5H-pyrrolizine-1-carbonitrile?
2-amino-3-benzoyl-6,7-dihydro-5H-pyrrolizine-1-carbonitrile has a molecular weight of 251.29 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-benzoyl-6,7-dihydro-5H-pyrrolizine-1-carbonitrile is sourced from PubChem (CID 741280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).