2-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)cyclopentane-1-carbonitrile

C11H12N2O2 — CID 62962720

IUPAC2-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)cyclopentane-1-carbonitrile
SMILESN#CC1CCCC1N1C(=O)C2CC2C1=O
InChIInChI=1S/C11H12N2O2/c12-5-6-2-1-3-9(6)13-10(14)7-4-8(7)11(13)15/h6-9H,1-4H2
InChIKeyPNGRAYIBRVIIMN-UHFFFAOYSA-N
MW204.23 g/mol
LogP0.68
Rot. Bonds1

About 2-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)cyclopentane-1-carbonitrile

2-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)cyclopentane-1-carbonitrile (PubChem CID 62962720) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 2-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)cyclopentane-1-carbonitrile
PubChem CID62962720
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name2-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)cyclopentane-1-carbonitrile
SMILESN#CC1CCCC1N1C(=O)C2CC2C1=O
InChIInChI=1S/C11H12N2O2/c12-5-6-2-1-3-9(6)13-10(14)7-4-8(7)11(13)15/h6-9H,1-4H2
InChIKeyPNGRAYIBRVIIMN-UHFFFAOYSA-N
XLogP0.68
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)cyclopentane-1-carbonitrile?
The IUPAC name of 2-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)cyclopentane-1-carbonitrile (CID 62962720) is 2-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)cyclopentane-1-carbonitrile.
What is the SMILES notation for 2-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)cyclopentane-1-carbonitrile?
The canonical SMILES for 2-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)cyclopentane-1-carbonitrile is N#CC1CCCC1N1C(=O)C2CC2C1=O.
What is the InChIKey of 2-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)cyclopentane-1-carbonitrile?
The InChIKey is PNGRAYIBRVIIMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c12-5-6-2-1-3-9(6)13-10(14)7-4-8(7)11(13)15/h6-9H,1-4H2.
What are the key properties of 2-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)cyclopentane-1-carbonitrile?
2-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)cyclopentane-1-carbonitrile has a molecular weight of 204.23 g/mol, XLogP of 0.68, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)cyclopentane-1-carbonitrile is sourced from PubChem (CID 62962720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).