2-[(3-methylphenyl)carbamoyl]cyclohexene-1-carboxylic acid

C15H17NO3 — CID 53270346

IUPAC2-[(3-methylphenyl)carbamoyl]cyclohexene-1-carboxylic acid
SMILESCc1cccc(NC(=O)C2=C(C(=O)O)CCCC2)c1
InChIInChI=1S/C15H17NO3/c1-10-5-4-6-11(9-10)16-14(17)12-7-2-3-8-13(12)15(18)19/h4-6,9H,2-3,7-8H2,1H3,(H,16,17)(H,18,19)
InChIKeyIZNQYVZRXULLQC-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.89
Rot. Bonds3

About 2-[(3-methylphenyl)carbamoyl]cyclohexene-1-carboxylic acid

2-[(3-methylphenyl)carbamoyl]cyclohexene-1-carboxylic acid (PubChem CID 53270346) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-[(3-methylphenyl)carbamoyl]cyclohexene-1-carboxylic acid.

Molecular Properties

Compound Name2-[(3-methylphenyl)carbamoyl]cyclohexene-1-carboxylic acid
PubChem CID53270346
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Name2-[(3-methylphenyl)carbamoyl]cyclohexene-1-carboxylic acid
SMILESCc1cccc(NC(=O)C2=C(C(=O)O)CCCC2)c1
InChIInChI=1S/C15H17NO3/c1-10-5-4-6-11(9-10)16-14(17)12-7-2-3-8-13(12)15(18)19/h4-6,9H,2-3,7-8H2,1H3,(H,16,17)(H,18,19)
InChIKeyIZNQYVZRXULLQC-UHFFFAOYSA-N
XLogP2.89
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(phenylcarbamoyl)cyclohexene-1-carboxylic acid
CID 2812906
6-N-(3-methylphenyl)-2-N-phenylpyridine-2,6-dicarboxamide
CID 109099953
N-(3-methylphenyl)acetamide
CID 10843
6-(azepan-1-yl)-N-(3-methylphenyl)pyridazine-3-carboxamide
CID 109126354
2,6-dihydroxy-N-(3-methylphenyl)benzamide
CID 103748871
2-[(3,4-dichlorophenyl)carbamoyl]cyclohexene-1-carboxylic acid
CID 53270474
6-methyl-N-(3-methylphenyl)-2-piperidin-1-ylpyrimidine-4-carboxamide
CID 109322331
1-(cyclopentylidenemethyl)-3-(3-methylphenyl)urea
CID 108913541
6-N-methyl-2-N-(3-methylphenyl)-6-N-phenylpyridine-2,6-dicarboxamide
CID 109100104
2-[[3-(4-chlorophenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid
CID 21084805
2-[(4-chlorophenyl)carbamoyl]cyclohexene-1-carboxylic acid
CID 18979882
6-methyl-N-(3-methylphenyl)-4-piperidin-1-ylquinoline-2-carboxamide
CID 53020839

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylphenyl)carbamoyl]cyclohexene-1-carboxylic acid?
The IUPAC name of 2-[(3-methylphenyl)carbamoyl]cyclohexene-1-carboxylic acid (CID 53270346) is 2-[(3-methylphenyl)carbamoyl]cyclohexene-1-carboxylic acid.
What is the SMILES notation for 2-[(3-methylphenyl)carbamoyl]cyclohexene-1-carboxylic acid?
The canonical SMILES for 2-[(3-methylphenyl)carbamoyl]cyclohexene-1-carboxylic acid is Cc1cccc(NC(=O)C2=C(C(=O)O)CCCC2)c1.
What is the InChIKey of 2-[(3-methylphenyl)carbamoyl]cyclohexene-1-carboxylic acid?
The InChIKey is IZNQYVZRXULLQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-10-5-4-6-11(9-10)16-14(17)12-7-2-3-8-13(12)15(18)19/h4-6,9H,2-3,7-8H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 2-[(3-methylphenyl)carbamoyl]cyclohexene-1-carboxylic acid?
2-[(3-methylphenyl)carbamoyl]cyclohexene-1-carboxylic acid has a molecular weight of 259.31 g/mol, XLogP of 2.89, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylphenyl)carbamoyl]cyclohexene-1-carboxylic acid is sourced from PubChem (CID 53270346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).