4-(2-formylcyclohepten-1-yl)benzonitrile

C15H15NO — CID 71817020

IUPAC4-(2-formylcyclohepten-1-yl)benzonitrile
SMILESN#Cc1ccc(C2=C(C=O)CCCCC2)cc1
InChIInChI=1S/C15H15NO/c16-10-12-6-8-13(9-7-12)15-5-3-1-2-4-14(15)11-17/h6-9,11H,1-5H2
InChIKeyYUZIWZJDEIWRFT-UHFFFAOYSA-N
MW225.29 g/mol
LogP3.47
Rot. Bonds2

About 4-(2-formylcyclohepten-1-yl)benzonitrile

4-(2-formylcyclohepten-1-yl)benzonitrile (PubChem CID 71817020) has the molecular formula C15H15NO and a molecular weight of 225.29 g/mol. Its IUPAC name is 4-(2-formylcyclohepten-1-yl)benzonitrile.

Molecular Properties

Compound Name4-(2-formylcyclohepten-1-yl)benzonitrile
PubChem CID71817020
Molecular FormulaC15H15NO
Molecular Weight225.29 g/mol
Exact Mass225.12
IUPAC Name4-(2-formylcyclohepten-1-yl)benzonitrile
SMILESN#Cc1ccc(C2=C(C=O)CCCCC2)cc1
InChIInChI=1S/C15H15NO/c16-10-12-6-8-13(9-7-12)15-5-3-1-2-4-14(15)11-17/h6-9,11H,1-5H2
InChIKeyYUZIWZJDEIWRFT-UHFFFAOYSA-N
XLogP3.47
TPSA40.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[[4-(4-cyanophenyl)phenyl]methyl]benzonitrile
CID 71089118
4-formylbenzonitrile;methane
CID 143070509
azane;benzene-1,4-dicarbonitrile
CID 174336566
5-[2-(4-cyanophenyl)cyclopenten-1-yl]pyridine-2-sulfonamide
CID 22917300
[4-[7-(4-cyanophenyl)spiro[3.4]oct-6-en-6-yl]phenyl]methanesulfonamide
CID 139746258
4-[4-(3-oxocyclohexen-1-yl)phenyl]benzonitrile
CID 102024731
(4-cyanophenyl)methyl formate
CID 18398424
2-[4-(hydroxymethyl)phenyl]cycloheptene-1-carbonitrile
CID 15665623
4-(2-formylfuran-3-yl)benzonitrile
CID 154368989
azulene-6-carbonitrile
CID 91533837
acetaldehyde;benzonitrile;hydrate
CID 174391399
4-[4-[4-[4-[4-(4-cyanophenyl)phenyl]-N-[4-[4-(4-cyanophenyl)phenyl]phenyl]anilino]phenyl]phenyl]benzonitrile
CID 122213213

Frequently Asked Questions

What is the IUPAC name of 4-(2-formylcyclohepten-1-yl)benzonitrile?
The IUPAC name of 4-(2-formylcyclohepten-1-yl)benzonitrile (CID 71817020) is 4-(2-formylcyclohepten-1-yl)benzonitrile.
What is the SMILES notation for 4-(2-formylcyclohepten-1-yl)benzonitrile?
The canonical SMILES for 4-(2-formylcyclohepten-1-yl)benzonitrile is N#Cc1ccc(C2=C(C=O)CCCCC2)cc1.
What is the InChIKey of 4-(2-formylcyclohepten-1-yl)benzonitrile?
The InChIKey is YUZIWZJDEIWRFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO/c16-10-12-6-8-13(9-7-12)15-5-3-1-2-4-14(15)11-17/h6-9,11H,1-5H2.
What are the key properties of 4-(2-formylcyclohepten-1-yl)benzonitrile?
4-(2-formylcyclohepten-1-yl)benzonitrile has a molecular weight of 225.29 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-formylcyclohepten-1-yl)benzonitrile is sourced from PubChem (CID 71817020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).