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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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).