4-cycloheptylidene-5-(4-methoxyphenyl)pentanenitrile

C19H25NO — CID 10062390

IUPAC4-cycloheptylidene-5-(4-methoxyphenyl)pentanenitrile
SMILESCOc1ccc(CC(CCC#N)=C2CCCCCC2)cc1
InChIInChI=1S/C19H25NO/c1-21-19-12-10-16(11-13-19)15-18(9-6-14-20)17-7-4-2-3-5-8-17/h10-13H,2-9,15H2,1H3
InChIKeyJQHKURFYQNVXOC-UHFFFAOYSA-N
MW283.42 g/mol
LogP5.19
Rot. Bonds5

About 4-cycloheptylidene-5-(4-methoxyphenyl)pentanenitrile

4-cycloheptylidene-5-(4-methoxyphenyl)pentanenitrile (PubChem CID 10062390) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is 4-cycloheptylidene-5-(4-methoxyphenyl)pentanenitrile.

Molecular Properties

Compound Name4-cycloheptylidene-5-(4-methoxyphenyl)pentanenitrile
PubChem CID10062390
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name4-cycloheptylidene-5-(4-methoxyphenyl)pentanenitrile
SMILESCOc1ccc(CC(CCC#N)=C2CCCCCC2)cc1
InChIInChI=1S/C19H25NO/c1-21-19-12-10-16(11-13-19)15-18(9-6-14-20)17-7-4-2-3-5-8-17/h10-13H,2-9,15H2,1H3
InChIKeyJQHKURFYQNVXOC-UHFFFAOYSA-N
XLogP5.19
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.42
LogP ≤ 55.19
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

ethyl 4-cyclooctylidene-5-(4-methoxyphenyl)pentanoate
CID 10405245
4,5,5-tris(4-methoxyphenyl)pent-4-enenitrile
CID 10340893
cyclohexanone;2-cyclohexylidene-2-(4-methoxyphenyl)acetonitrile;2-(4-methoxyphenyl)acetonitrile
CID 160949660
cycloheptane;(4-methoxyphenyl)methanol
CID 142801335
3-(2-hydroxy-5-methoxyphenyl)propanenitrile
CID 130773609
dichloroplatinum;ethane;bis(3-(4-methoxyphenyl)propanenitrile)
CID 143736973
2-cyclohexylidene-2-fluoro-N-[(4-methoxyphenyl)methyl]acetamide
CID 86005665
3-[2-(4-methoxyphenyl)ethylamino]propanenitrile
CID 43082695
N-(cyclooctylideneamino)-2-(4-methoxyphenyl)acetamide
CID 3652246
2-[(4-methoxyphenyl)methyl]pentanedinitrile
CID 177394761
2-(4-methoxyphenyl)acetic acid;oxolane
CID 67598100
1-(2-cyanoethyl)-3-[2-(4-methoxyphenyl)ethyl]urea
CID 108902041

Frequently Asked Questions

What is the IUPAC name of 4-cycloheptylidene-5-(4-methoxyphenyl)pentanenitrile?
The IUPAC name of 4-cycloheptylidene-5-(4-methoxyphenyl)pentanenitrile (CID 10062390) is 4-cycloheptylidene-5-(4-methoxyphenyl)pentanenitrile.
What is the SMILES notation for 4-cycloheptylidene-5-(4-methoxyphenyl)pentanenitrile?
The canonical SMILES for 4-cycloheptylidene-5-(4-methoxyphenyl)pentanenitrile is COc1ccc(CC(CCC#N)=C2CCCCCC2)cc1.
What is the InChIKey of 4-cycloheptylidene-5-(4-methoxyphenyl)pentanenitrile?
The InChIKey is JQHKURFYQNVXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-21-19-12-10-16(11-13-19)15-18(9-6-14-20)17-7-4-2-3-5-8-17/h10-13H,2-9,15H2,1H3.
What are the key properties of 4-cycloheptylidene-5-(4-methoxyphenyl)pentanenitrile?
4-cycloheptylidene-5-(4-methoxyphenyl)pentanenitrile has a molecular weight of 283.42 g/mol, XLogP of 5.19, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cycloheptylidene-5-(4-methoxyphenyl)pentanenitrile is sourced from PubChem (CID 10062390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).