2-(phenylcarbamoyl)cyclohexene-1-carboxylic acid

C14H15NO3 — CID 2812906

IUPAC2-(phenylcarbamoyl)cyclohexene-1-carboxylic acid
SMILESO=C(O)C1=C(C(=O)Nc2ccccc2)CCCC1
InChIInChI=1S/C14H15NO3/c16-13(15-10-6-2-1-3-7-10)11-8-4-5-9-12(11)14(17)18/h1-3,6-7H,4-5,8-9H2,(H,15,16)(H,17,18)
InChIKeyGZMRDYPORXXQFK-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.58
Rot. Bonds3

About 2-(phenylcarbamoyl)cyclohexene-1-carboxylic acid

2-(phenylcarbamoyl)cyclohexene-1-carboxylic acid (PubChem CID 2812906) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-(phenylcarbamoyl)cyclohexene-1-carboxylic acid.

Molecular Properties

Compound Name2-(phenylcarbamoyl)cyclohexene-1-carboxylic acid
PubChem CID2812906
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name2-(phenylcarbamoyl)cyclohexene-1-carboxylic acid
SMILESO=C(O)C1=C(C(=O)Nc2ccccc2)CCCC1
InChIInChI=1S/C14H15NO3/c16-13(15-10-6-2-1-3-7-10)11-8-4-5-9-12(11)14(17)18/h1-3,6-7H,4-5,8-9H2,(H,15,16)(H,17,18)
InChIKeyGZMRDYPORXXQFK-UHFFFAOYSA-N
XLogP2.58
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-chlorophenyl)carbamoyl]cyclohexene-1-carboxylic acid
CID 18979882
2-[(3-methylphenyl)carbamoyl]cyclohexene-1-carboxylic acid
CID 53270346
2-[[4-(2-phenylethenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid
CID 68838847
2-[(4-sulfamoylphenyl)carbamoyl]cyclohexene-1-carboxylic acid
CID 53270897
2-[(3,4-dichlorophenyl)carbamoyl]cyclohexene-1-carboxylic acid
CID 53270474
2-[[3-cyano-4-methyl-5-(phenylcarbamoyl)thiophen-2-yl]carbamoyl]cyclohexene-1-carboxylic acid
CID 53270797
2-[[3-(4-chlorophenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid
CID 21084805
cyclohexene-1,2-dicarboxylic acid
CID 6958
2-(1H-indol-6-ylcarbamoyl)cyclohexene-1-carboxylic acid
CID 19058101
2-[[4-[4-(trifluoromethoxy)phenyl]phenyl]carbamoyl]cyclopentene-1-carboxylic acid
CID 21084833
2-[[4-(2,3-dichlorophenoxy)phenyl]carbamoyl]cyclopentene-1-carboxylic acid
CID 69220103
2-[[4-[2-methyl-4-(2-methylphenyl)anilino]phenyl]carbamoyl]cyclopentene-1-carboxylic acid
CID 163735487

Frequently Asked Questions

What is the IUPAC name of 2-(phenylcarbamoyl)cyclohexene-1-carboxylic acid?
The IUPAC name of 2-(phenylcarbamoyl)cyclohexene-1-carboxylic acid (CID 2812906) is 2-(phenylcarbamoyl)cyclohexene-1-carboxylic acid.
What is the SMILES notation for 2-(phenylcarbamoyl)cyclohexene-1-carboxylic acid?
The canonical SMILES for 2-(phenylcarbamoyl)cyclohexene-1-carboxylic acid is O=C(O)C1=C(C(=O)Nc2ccccc2)CCCC1.
What is the InChIKey of 2-(phenylcarbamoyl)cyclohexene-1-carboxylic acid?
The InChIKey is GZMRDYPORXXQFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c16-13(15-10-6-2-1-3-7-10)11-8-4-5-9-12(11)14(17)18/h1-3,6-7H,4-5,8-9H2,(H,15,16)(H,17,18).
What are the key properties of 2-(phenylcarbamoyl)cyclohexene-1-carboxylic acid?
2-(phenylcarbamoyl)cyclohexene-1-carboxylic acid has a molecular weight of 245.28 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(phenylcarbamoyl)cyclohexene-1-carboxylic acid is sourced from PubChem (CID 2812906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).