1-(cyclohexanecarbonyl)azetidine-3-carbonitrile

C11H16N2O — CID 174175540

IUPAC1-(cyclohexanecarbonyl)azetidine-3-carbonitrile
SMILESN#CC1CN(C(=O)C2CCCCC2)C1
InChIInChI=1S/C11H16N2O/c12-6-9-7-13(8-9)11(14)10-4-2-1-3-5-10/h9-10H,1-5,7-8H2
InChIKeySNZYTJDPTVSMRR-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.55
Rot. Bonds1

About 1-(cyclohexanecarbonyl)azetidine-3-carbonitrile

1-(cyclohexanecarbonyl)azetidine-3-carbonitrile (PubChem CID 174175540) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 1-(cyclohexanecarbonyl)azetidine-3-carbonitrile.

Molecular Properties

Compound Name1-(cyclohexanecarbonyl)azetidine-3-carbonitrile
PubChem CID174175540
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name1-(cyclohexanecarbonyl)azetidine-3-carbonitrile
SMILESN#CC1CN(C(=O)C2CCCCC2)C1
InChIInChI=1S/C11H16N2O/c12-6-9-7-13(8-9)11(14)10-4-2-1-3-5-10/h9-10H,1-5,7-8H2
InChIKeySNZYTJDPTVSMRR-UHFFFAOYSA-N
XLogP1.55
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(cyclohexanecarbonyl)azetidine-3-carbonitrile;ethane
CID 177000428
1-(cyclooctanecarbonyl)piperidine-3-carbonitrile
CID 65018910
1-[(1S)-cyclohex-3-ene-1-carbonyl]azetidine-3-carbonitrile
CID 124891898
aziridin-1-yl(cyclohexyl)methanone
CID 2309619
cyclohexyl(piperidin-1-yl)methanone
CID 12760854
cycloheptyl(pyrrolidin-1-yl)methanone
CID 62778687
4-(cycloheptanecarbonyl)morpholine-2-carbonitrile
CID 78945818
(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-cyclohexylmethanone
CID 69121814
cyclopentyl-[(3R)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]methanone
CID 95051296
cyclohexyl-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone
CID 121185224
cyclohexyl-(2,6-dimethylmorpholin-4-yl)methanone
CID 2915019
[4-(azepane-1-carbonyl)piperidin-1-yl]-cyclopentylmethanone
CID 134029844

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexanecarbonyl)azetidine-3-carbonitrile?
The IUPAC name of 1-(cyclohexanecarbonyl)azetidine-3-carbonitrile (CID 174175540) is 1-(cyclohexanecarbonyl)azetidine-3-carbonitrile.
What is the SMILES notation for 1-(cyclohexanecarbonyl)azetidine-3-carbonitrile?
The canonical SMILES for 1-(cyclohexanecarbonyl)azetidine-3-carbonitrile is N#CC1CN(C(=O)C2CCCCC2)C1.
What is the InChIKey of 1-(cyclohexanecarbonyl)azetidine-3-carbonitrile?
The InChIKey is SNZYTJDPTVSMRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c12-6-9-7-13(8-9)11(14)10-4-2-1-3-5-10/h9-10H,1-5,7-8H2.
What are the key properties of 1-(cyclohexanecarbonyl)azetidine-3-carbonitrile?
1-(cyclohexanecarbonyl)azetidine-3-carbonitrile has a molecular weight of 192.26 g/mol, XLogP of 1.55, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexanecarbonyl)azetidine-3-carbonitrile is sourced from PubChem (CID 174175540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).