2-[2-amino-2-(1-cyclohexa-2,4-dien-1-ylcyclopentyl)acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile

C19H25N3O — CID 71101916

IUPAC2-[2-amino-2-(1-cyclohexa-2,4-dien-1-ylcyclopentyl)acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile
SMILESN#CC1CC2CC2N1C(=O)C(N)C1(C2C=CC=CC2)CCCC1
InChIInChI=1S/C19H25N3O/c20-12-15-10-13-11-16(13)22(15)18(23)17(21)19(8-4-5-9-19)14-6-2-1-3-7-14/h1-3,6,13-17H,4-5,7-11,21H2
InChIKeyKVIWTDSHEDZAKF-UHFFFAOYSA-N
MW311.43 g/mol
LogP2.52
Rot. Bonds3

About 2-[2-amino-2-(1-cyclohexa-2,4-dien-1-ylcyclopentyl)acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile

2-[2-amino-2-(1-cyclohexa-2,4-dien-1-ylcyclopentyl)acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile (PubChem CID 71101916) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is 2-[2-amino-2-(1-cyclohexa-2,4-dien-1-ylcyclopentyl)acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile.

Molecular Properties

Compound Name2-[2-amino-2-(1-cyclohexa-2,4-dien-1-ylcyclopentyl)acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile
PubChem CID71101916
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name2-[2-amino-2-(1-cyclohexa-2,4-dien-1-ylcyclopentyl)acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile
SMILESN#CC1CC2CC2N1C(=O)C(N)C1(C2C=CC=CC2)CCCC1
InChIInChI=1S/C19H25N3O/c20-12-15-10-13-11-16(13)22(15)18(23)17(21)19(8-4-5-9-19)14-6-2-1-3-7-14/h1-3,6,13-17H,4-5,7-11,21H2
InChIKeyKVIWTDSHEDZAKF-UHFFFAOYSA-N
XLogP2.52
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-2-(1-cyclohexa-2,4-dien-1-ylcyclopentyl)acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile?
The IUPAC name of 2-[2-amino-2-(1-cyclohexa-2,4-dien-1-ylcyclopentyl)acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile (CID 71101916) is 2-[2-amino-2-(1-cyclohexa-2,4-dien-1-ylcyclopentyl)acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile.
What is the SMILES notation for 2-[2-amino-2-(1-cyclohexa-2,4-dien-1-ylcyclopentyl)acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile?
The canonical SMILES for 2-[2-amino-2-(1-cyclohexa-2,4-dien-1-ylcyclopentyl)acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile is N#CC1CC2CC2N1C(=O)C(N)C1(C2C=CC=CC2)CCCC1.
What is the InChIKey of 2-[2-amino-2-(1-cyclohexa-2,4-dien-1-ylcyclopentyl)acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile?
The InChIKey is KVIWTDSHEDZAKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c20-12-15-10-13-11-16(13)22(15)18(23)17(21)19(8-4-5-9-19)14-6-2-1-3-7-14/h1-3,6,13-17H,4-5,7-11,21H2.
What are the key properties of 2-[2-amino-2-(1-cyclohexa-2,4-dien-1-ylcyclopentyl)acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile?
2-[2-amino-2-(1-cyclohexa-2,4-dien-1-ylcyclopentyl)acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile has a molecular weight of 311.43 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-2-(1-cyclohexa-2,4-dien-1-ylcyclopentyl)acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile is sourced from PubChem (CID 71101916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).