3-phenylcyclohexa-1,5-diene-1-carboxamide

C13H13NO — CID 66830151

IUPAC3-phenylcyclohexa-1,5-diene-1-carboxamide
SMILESNC(=O)C1=CC(c2ccccc2)CC=C1
InChIInChI=1S/C13H13NO/c14-13(15)12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-6,8-9,11H,7H2,(H2,14,15)
InChIKeyFTXYGYHJGWAKKL-UHFFFAOYSA-N
MW199.25 g/mol
LogP2.14
Rot. Bonds2

About 3-phenylcyclohexa-1,5-diene-1-carboxamide

3-phenylcyclohexa-1,5-diene-1-carboxamide (PubChem CID 66830151) has the molecular formula C13H13NO and a molecular weight of 199.25 g/mol. Its IUPAC name is 3-phenylcyclohexa-1,5-diene-1-carboxamide.

Molecular Properties

Compound Name3-phenylcyclohexa-1,5-diene-1-carboxamide
PubChem CID66830151
Molecular FormulaC13H13NO
Molecular Weight199.25 g/mol
Exact Mass199.10
IUPAC Name3-phenylcyclohexa-1,5-diene-1-carboxamide
SMILESNC(=O)C1=CC(c2ccccc2)CC=C1
InChIInChI=1S/C13H13NO/c14-13(15)12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-6,8-9,11H,7H2,(H2,14,15)
InChIKeyFTXYGYHJGWAKKL-UHFFFAOYSA-N
XLogP2.14
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-phenylcyclohexa-1,5-diene-1-carboxamide
CID 22238857
(3-phenylcyclohexa-1,5-dien-1-yl)benzene
CID 23170334
carbonic acid;cyclohex-3-en-1-ylbenzene
CID 70561702
diethyl (3aR,7R)-7-phenyl-3,3a,6,7-tetrahydro-1H-azulene-2,2-dicarboxylate
CID 135068981
(2R,3S)-3-phenylaziridine-2-carboxamide
CID 23727454
(1S,5R)-5-phenylcyclohex-3-ene-1-carboxylic acid
CID 12890861
4-cyclohexa-2,4-dien-1-ylbenzamide
CID 154350232
4-phenyl-3,4-dihydro-2H-pyridine-1-carboxamide
CID 57182714
carbamic acid;naphthalene
CID 162082147
N-(2-methylphenyl)-4-phenylcyclohepta-2,6-dien-1-imine
CID 123500021
(2S)-4-phenylpiperidine-2-carboxamide
CID 129163808
3-[(3-phenylcyclobutyl)amino]butanamide
CID 115676859

Frequently Asked Questions

What is the IUPAC name of 3-phenylcyclohexa-1,5-diene-1-carboxamide?
The IUPAC name of 3-phenylcyclohexa-1,5-diene-1-carboxamide (CID 66830151) is 3-phenylcyclohexa-1,5-diene-1-carboxamide.
What is the SMILES notation for 3-phenylcyclohexa-1,5-diene-1-carboxamide?
The canonical SMILES for 3-phenylcyclohexa-1,5-diene-1-carboxamide is NC(=O)C1=CC(c2ccccc2)CC=C1.
What is the InChIKey of 3-phenylcyclohexa-1,5-diene-1-carboxamide?
The InChIKey is FTXYGYHJGWAKKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO/c14-13(15)12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-6,8-9,11H,7H2,(H2,14,15).
What are the key properties of 3-phenylcyclohexa-1,5-diene-1-carboxamide?
3-phenylcyclohexa-1,5-diene-1-carboxamide has a molecular weight of 199.25 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylcyclohexa-1,5-diene-1-carboxamide is sourced from PubChem (CID 66830151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).