1-(2,3-dimethylphenyl)cyclohexa-2,4-diene-1-carbonitrile

C15H15N — CID 175472479

IUPAC1-(2,3-dimethylphenyl)cyclohexa-2,4-diene-1-carbonitrile
SMILESCc1cccc(C2(C#N)C=CC=CC2)c1C
InChIInChI=1S/C15H15N/c1-12-7-6-8-14(13(12)2)15(11-16)9-4-3-5-10-15/h3-9H,10H2,1-2H3
InChIKeyRWHDQWYCZYUJOT-UHFFFAOYSA-N
MW209.29 g/mol
LogP3.58
Rot. Bonds1

About 1-(2,3-dimethylphenyl)cyclohexa-2,4-diene-1-carbonitrile

1-(2,3-dimethylphenyl)cyclohexa-2,4-diene-1-carbonitrile (PubChem CID 175472479) has the molecular formula C15H15N and a molecular weight of 209.29 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)cyclohexa-2,4-diene-1-carbonitrile.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)cyclohexa-2,4-diene-1-carbonitrile
PubChem CID175472479
Molecular FormulaC15H15N
Molecular Weight209.29 g/mol
Exact Mass209.12
IUPAC Name1-(2,3-dimethylphenyl)cyclohexa-2,4-diene-1-carbonitrile
SMILESCc1cccc(C2(C#N)C=CC=CC2)c1C
InChIInChI=1S/C15H15N/c1-12-7-6-8-14(13(12)2)15(11-16)9-4-3-5-10-15/h3-9H,10H2,1-2H3
InChIKeyRWHDQWYCZYUJOT-UHFFFAOYSA-N
XLogP3.58
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)cyclohexa-2,4-diene-1-carbonitrile?
The IUPAC name of 1-(2,3-dimethylphenyl)cyclohexa-2,4-diene-1-carbonitrile (CID 175472479) is 1-(2,3-dimethylphenyl)cyclohexa-2,4-diene-1-carbonitrile.
What is the SMILES notation for 1-(2,3-dimethylphenyl)cyclohexa-2,4-diene-1-carbonitrile?
The canonical SMILES for 1-(2,3-dimethylphenyl)cyclohexa-2,4-diene-1-carbonitrile is Cc1cccc(C2(C#N)C=CC=CC2)c1C.
What is the InChIKey of 1-(2,3-dimethylphenyl)cyclohexa-2,4-diene-1-carbonitrile?
The InChIKey is RWHDQWYCZYUJOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N/c1-12-7-6-8-14(13(12)2)15(11-16)9-4-3-5-10-15/h3-9H,10H2,1-2H3.
What are the key properties of 1-(2,3-dimethylphenyl)cyclohexa-2,4-diene-1-carbonitrile?
1-(2,3-dimethylphenyl)cyclohexa-2,4-diene-1-carbonitrile has a molecular weight of 209.29 g/mol, XLogP of 3.58, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenyl)cyclohexa-2,4-diene-1-carbonitrile is sourced from PubChem (CID 175472479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).