5-cyano-5-methyl-6-phenylcyclohexa-1,3-diene-1-carboxamide

C15H14N2O — CID 129097262

IUPAC5-cyano-5-methyl-6-phenylcyclohexa-1,3-diene-1-carboxamide
SMILESCC1(C#N)C=CC=C(C(N)=O)C1c1ccccc1
InChIInChI=1S/C15H14N2O/c1-15(10-16)9-5-8-12(14(17)18)13(15)11-6-3-2-4-7-11/h2-9,13H,1H3,(H2,17,18)
InChIKeyRNWJBLJVJFSFHD-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.28
Rot. Bonds2

About 5-cyano-5-methyl-6-phenylcyclohexa-1,3-diene-1-carboxamide

5-cyano-5-methyl-6-phenylcyclohexa-1,3-diene-1-carboxamide (PubChem CID 129097262) has the molecular formula C15H14N2O and a molecular weight of 238.29 g/mol. Its IUPAC name is 5-cyano-5-methyl-6-phenylcyclohexa-1,3-diene-1-carboxamide.

Molecular Properties

Compound Name5-cyano-5-methyl-6-phenylcyclohexa-1,3-diene-1-carboxamide
PubChem CID129097262
Molecular FormulaC15H14N2O
Molecular Weight238.29 g/mol
Exact Mass238.11
IUPAC Name5-cyano-5-methyl-6-phenylcyclohexa-1,3-diene-1-carboxamide
SMILESCC1(C#N)C=CC=C(C(N)=O)C1c1ccccc1
InChIInChI=1S/C15H14N2O/c1-15(10-16)9-5-8-12(14(17)18)13(15)11-6-3-2-4-7-11/h2-9,13H,1H3,(H2,17,18)
InChIKeyRNWJBLJVJFSFHD-UHFFFAOYSA-N
XLogP2.28
TPSA66.88 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-cyano-5-methyl-6-phenylcyclohexa-1,3-diene-1-carboxamide?
The IUPAC name of 5-cyano-5-methyl-6-phenylcyclohexa-1,3-diene-1-carboxamide (CID 129097262) is 5-cyano-5-methyl-6-phenylcyclohexa-1,3-diene-1-carboxamide.
What is the SMILES notation for 5-cyano-5-methyl-6-phenylcyclohexa-1,3-diene-1-carboxamide?
The canonical SMILES for 5-cyano-5-methyl-6-phenylcyclohexa-1,3-diene-1-carboxamide is CC1(C#N)C=CC=C(C(N)=O)C1c1ccccc1.
What is the InChIKey of 5-cyano-5-methyl-6-phenylcyclohexa-1,3-diene-1-carboxamide?
The InChIKey is RNWJBLJVJFSFHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O/c1-15(10-16)9-5-8-12(14(17)18)13(15)11-6-3-2-4-7-11/h2-9,13H,1H3,(H2,17,18).
What are the key properties of 5-cyano-5-methyl-6-phenylcyclohexa-1,3-diene-1-carboxamide?
5-cyano-5-methyl-6-phenylcyclohexa-1,3-diene-1-carboxamide has a molecular weight of 238.29 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-5-methyl-6-phenylcyclohexa-1,3-diene-1-carboxamide is sourced from PubChem (CID 129097262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).