1-(4-cyclohexylbenzoyl)cyclopropane-1-carbonitrile

C17H19NO — CID 116920814

IUPAC1-(4-cyclohexylbenzoyl)cyclopropane-1-carbonitrile
SMILESN#CC1(C(=O)c2ccc(C3CCCCC3)cc2)CC1
InChIInChI=1S/C17H19NO/c18-12-17(10-11-17)16(19)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h6-9,13H,1-5,10-11H2
InChIKeyCCHPEGSGHJZWRJ-UHFFFAOYSA-N
MW253.34 g/mol
LogP4.22
Rot. Bonds3

About 1-(4-cyclohexylbenzoyl)cyclopropane-1-carbonitrile

1-(4-cyclohexylbenzoyl)cyclopropane-1-carbonitrile (PubChem CID 116920814) has the molecular formula C17H19NO and a molecular weight of 253.34 g/mol. Its IUPAC name is 1-(4-cyclohexylbenzoyl)cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-(4-cyclohexylbenzoyl)cyclopropane-1-carbonitrile
PubChem CID116920814
Molecular FormulaC17H19NO
Molecular Weight253.34 g/mol
Exact Mass253.15
IUPAC Name1-(4-cyclohexylbenzoyl)cyclopropane-1-carbonitrile
SMILESN#CC1(C(=O)c2ccc(C3CCCCC3)cc2)CC1
InChIInChI=1S/C17H19NO/c18-12-17(10-11-17)16(19)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h6-9,13H,1-5,10-11H2
InChIKeyCCHPEGSGHJZWRJ-UHFFFAOYSA-N
XLogP4.22
TPSA40.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-cyclohexylphenyl)-[1-(hydroxymethyl)cyclopropyl]methanone
CID 116921091
1-(4-cyclohexylphenyl)-2-(methylamino)ethanone
CID 82082215
1-(4-methoxybenzoyl)cyclobutane-1-carbonitrile
CID 116921475
[3,5-bis(4-cyclohexylbenzoyl)phenyl]-(4-cyclohexylphenyl)methanone
CID 3766004
N-benzyl-N-(cyanomethyl)-4-cyclohexylbenzamide
CID 52688629
1-(4-phenoxybenzoyl)cyclopropane-1-carbonitrile
CID 116920829
2-(4-cyclohexylphenyl)-2-oxoacetyl chloride
CID 11107786
4-cyclohexyl-N'-methylbenzohydrazide
CID 116846851
(4-cyclobutylphenyl)-(1-methoxycyclopentyl)methanone
CID 116505722
(4-cyanophenyl) 4-cyclohexylbenzoate
CID 139383045
2-bromo-1-(4-cyclohexylphenyl)ethanone
CID 2756899
(4-bromophenyl)-(4-cyclohexylphenyl)methanone
CID 43338426

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclohexylbenzoyl)cyclopropane-1-carbonitrile?
The IUPAC name of 1-(4-cyclohexylbenzoyl)cyclopropane-1-carbonitrile (CID 116920814) is 1-(4-cyclohexylbenzoyl)cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-(4-cyclohexylbenzoyl)cyclopropane-1-carbonitrile?
The canonical SMILES for 1-(4-cyclohexylbenzoyl)cyclopropane-1-carbonitrile is N#CC1(C(=O)c2ccc(C3CCCCC3)cc2)CC1.
What is the InChIKey of 1-(4-cyclohexylbenzoyl)cyclopropane-1-carbonitrile?
The InChIKey is CCHPEGSGHJZWRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c18-12-17(10-11-17)16(19)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h6-9,13H,1-5,10-11H2.
What are the key properties of 1-(4-cyclohexylbenzoyl)cyclopropane-1-carbonitrile?
1-(4-cyclohexylbenzoyl)cyclopropane-1-carbonitrile has a molecular weight of 253.34 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclohexylbenzoyl)cyclopropane-1-carbonitrile is sourced from PubChem (CID 116920814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).