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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Related Compounds

cyclopentane-1,2-dicarbonitrile
CID 19807606
5-ethyl-2-[(1S,2S)-2-hydroxycyclopentyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 102735297
3-(2-methylpiperidin-3-yl)-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 114695749
1-(2-cyanocyclopentyl)pyrrolidine-2-carboxamide
CID 43291855
1-(2-cyanocyclopentyl)azetidine-3-carboxamide
CID 131048718
2-(2-aminocyclohexyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 113361325
9-(2-methylpropyl)-9-azabicyclo[3.3.1]nonane-2-carbonitrile
CID 70345771
trans-(1R,2R)-cyclohexane-1,2-dicarbonitrile
CID 12656927
2-(1,1-dioxo-1,4-thiazinan-4-yl)cycloheptane-1-carbonitrile
CID 43581425
2-(4-propan-2-ylpiperazin-1-yl)cyclopentane-1-carbonitrile
CID 43585250
2-(3,3-dimethoxyazetidin-1-yl)cyclopentane-1-carbonitrile
CID 79687199
2-(4-ethylpiperidin-1-yl)cyclopentane-1-carbonitrile
CID 61420857

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).