N-(3-azabicyclo[3.1.0]hexan-6-yl)cyclopent-3-ene-1-carboxamide

C11H16N2O — CID 64767550

IUPACN-(3-azabicyclo[3.1.0]hexan-6-yl)cyclopent-3-ene-1-carboxamide
SMILESO=C(NC1C2CNCC21)C1CC=CC1
InChIInChI=1S/C11H16N2O/c14-11(7-3-1-2-4-7)13-10-8-5-12-6-9(8)10/h1-2,7-10,12H,3-6H2,(H,13,14)
InChIKeyKPAVDTKXCFSRGU-UHFFFAOYSA-N
MW192.26 g/mol
LogP0.29
Rot. Bonds2

About N-(3-azabicyclo[3.1.0]hexan-6-yl)cyclopent-3-ene-1-carboxamide

N-(3-azabicyclo[3.1.0]hexan-6-yl)cyclopent-3-ene-1-carboxamide (PubChem CID 64767550) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is N-(3-azabicyclo[3.1.0]hexan-6-yl)cyclopent-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-(3-azabicyclo[3.1.0]hexan-6-yl)cyclopent-3-ene-1-carboxamide
PubChem CID64767550
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC NameN-(3-azabicyclo[3.1.0]hexan-6-yl)cyclopent-3-ene-1-carboxamide
SMILESO=C(NC1C2CNCC21)C1CC=CC1
InChIInChI=1S/C11H16N2O/c14-11(7-3-1-2-4-7)13-10-8-5-12-6-9(8)10/h1-2,7-10,12H,3-6H2,(H,13,14)
InChIKeyKPAVDTKXCFSRGU-UHFFFAOYSA-N
XLogP0.29
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-azabicyclo[3.1.0]hexan-6-yl)cyclopent-3-ene-1-carboxamide?
The IUPAC name of N-(3-azabicyclo[3.1.0]hexan-6-yl)cyclopent-3-ene-1-carboxamide (CID 64767550) is N-(3-azabicyclo[3.1.0]hexan-6-yl)cyclopent-3-ene-1-carboxamide.
What is the SMILES notation for N-(3-azabicyclo[3.1.0]hexan-6-yl)cyclopent-3-ene-1-carboxamide?
The canonical SMILES for N-(3-azabicyclo[3.1.0]hexan-6-yl)cyclopent-3-ene-1-carboxamide is O=C(NC1C2CNCC21)C1CC=CC1.
What is the InChIKey of N-(3-azabicyclo[3.1.0]hexan-6-yl)cyclopent-3-ene-1-carboxamide?
The InChIKey is KPAVDTKXCFSRGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c14-11(7-3-1-2-4-7)13-10-8-5-12-6-9(8)10/h1-2,7-10,12H,3-6H2,(H,13,14).
What are the key properties of N-(3-azabicyclo[3.1.0]hexan-6-yl)cyclopent-3-ene-1-carboxamide?
N-(3-azabicyclo[3.1.0]hexan-6-yl)cyclopent-3-ene-1-carboxamide has a molecular weight of 192.26 g/mol, XLogP of 0.29, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-azabicyclo[3.1.0]hexan-6-yl)cyclopent-3-ene-1-carboxamide is sourced from PubChem (CID 64767550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).