1-[(1S)-cyclohex-3-ene-1-carbonyl]azetidine-3-carbonitrile

C11H14N2O — CID 124891898

IUPAC1-[(1S)-cyclohex-3-ene-1-carbonyl]azetidine-3-carbonitrile
SMILESN#CC1CN(C(=O)[C@@H]2CC=CCC2)C1
InChIInChI=1S/C11H14N2O/c12-6-9-7-13(8-9)11(14)10-4-2-1-3-5-10/h1-2,9-10H,3-5,7-8H2/t10-/m1/s1
InChIKeyJBNWVHRODBIDJH-SNVBAGLBSA-N
MW190.25 g/mol
LogP1.32
Rot. Bonds1

About 1-[(1S)-cyclohex-3-ene-1-carbonyl]azetidine-3-carbonitrile

1-[(1S)-cyclohex-3-ene-1-carbonyl]azetidine-3-carbonitrile (PubChem CID 124891898) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 1-[(1S)-cyclohex-3-ene-1-carbonyl]azetidine-3-carbonitrile.

Molecular Properties

Compound Name1-[(1S)-cyclohex-3-ene-1-carbonyl]azetidine-3-carbonitrile
PubChem CID124891898
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name1-[(1S)-cyclohex-3-ene-1-carbonyl]azetidine-3-carbonitrile
SMILESN#CC1CN(C(=O)[C@@H]2CC=CCC2)C1
InChIInChI=1S/C11H14N2O/c12-6-9-7-13(8-9)11(14)10-4-2-1-3-5-10/h1-2,9-10H,3-5,7-8H2/t10-/m1/s1
InChIKeyJBNWVHRODBIDJH-SNVBAGLBSA-N
XLogP1.32
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(cyclohexanecarbonyl)azetidine-3-carbonitrile
CID 174175540
1-(cyclohexanecarbonyl)azetidine-3-carbonitrile;ethane
CID 177000428
(4-aminopiperidin-1-yl)-cyclohex-3-en-1-ylmethanone
CID 43556220
cyclohex-3-en-1-yl-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 62371831
[(3R)-3-aminopiperidin-1-yl]-cyclohex-3-en-1-ylmethanone
CID 102983809
ethyl 4-[(1S)-cyclohex-3-ene-1-carbonyl]piperazine-1-carboxylate
CID 94459894
6-(cyclohex-3-ene-1-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119174433
cyclohex-3-en-1-yl(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone
CID 162626054
1-(cyclooctanecarbonyl)piperidine-3-carbonitrile
CID 65018910
[(1S)-cyclohex-3-en-1-yl]-[3-(phenoxymethyl)azetidin-1-yl]methanone
CID 100678884
[(1R)-cyclohex-3-en-1-yl]-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]methanone
CID 97417335
cyclohex-3-en-1-yl-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 62370931

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-cyclohex-3-ene-1-carbonyl]azetidine-3-carbonitrile?
The IUPAC name of 1-[(1S)-cyclohex-3-ene-1-carbonyl]azetidine-3-carbonitrile (CID 124891898) is 1-[(1S)-cyclohex-3-ene-1-carbonyl]azetidine-3-carbonitrile.
What is the SMILES notation for 1-[(1S)-cyclohex-3-ene-1-carbonyl]azetidine-3-carbonitrile?
The canonical SMILES for 1-[(1S)-cyclohex-3-ene-1-carbonyl]azetidine-3-carbonitrile is N#CC1CN(C(=O)[C@@H]2CC=CCC2)C1.
What is the InChIKey of 1-[(1S)-cyclohex-3-ene-1-carbonyl]azetidine-3-carbonitrile?
The InChIKey is JBNWVHRODBIDJH-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H14N2O/c12-6-9-7-13(8-9)11(14)10-4-2-1-3-5-10/h1-2,9-10H,3-5,7-8H2/t10-/m1/s1.
What are the key properties of 1-[(1S)-cyclohex-3-ene-1-carbonyl]azetidine-3-carbonitrile?
1-[(1S)-cyclohex-3-ene-1-carbonyl]azetidine-3-carbonitrile has a molecular weight of 190.25 g/mol, XLogP of 1.32, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-cyclohex-3-ene-1-carbonyl]azetidine-3-carbonitrile is sourced from PubChem (CID 124891898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).