6-[(4-chlorophenyl)methylcarbamoyl]cyclohex-3-ene-1-carboxylic acid

C15H16ClNO3 — CID 2902977

IUPAC6-[(4-chlorophenyl)methylcarbamoyl]cyclohex-3-ene-1-carboxylic acid
SMILESO=C(O)C1CC=CCC1C(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C15H16ClNO3/c16-11-7-5-10(6-8-11)9-17-14(18)12-3-1-2-4-13(12)15(19)20/h1-2,5-8,12-13H,3-4,9H2,(H,17,18)(H,19,20)
InChIKeyDGIODHUQSYKFKR-UHFFFAOYSA-N
MW293.75 g/mol
LogP2.62
Rot. Bonds4

About 6-[(4-chlorophenyl)methylcarbamoyl]cyclohex-3-ene-1-carboxylic acid

6-[(4-chlorophenyl)methylcarbamoyl]cyclohex-3-ene-1-carboxylic acid (PubChem CID 2902977) has the molecular formula C15H16ClNO3 and a molecular weight of 293.75 g/mol. Its IUPAC name is 6-[(4-chlorophenyl)methylcarbamoyl]cyclohex-3-ene-1-carboxylic acid.

Molecular Properties

Compound Name6-[(4-chlorophenyl)methylcarbamoyl]cyclohex-3-ene-1-carboxylic acid
PubChem CID2902977
Molecular FormulaC15H16ClNO3
Molecular Weight293.75 g/mol
Exact Mass293.08
IUPAC Name6-[(4-chlorophenyl)methylcarbamoyl]cyclohex-3-ene-1-carboxylic acid
SMILESO=C(O)C1CC=CCC1C(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C15H16ClNO3/c16-11-7-5-10(6-8-11)9-17-14(18)12-3-1-2-4-13(12)15(19)20/h1-2,5-8,12-13H,3-4,9H2,(H,17,18)(H,19,20)
InChIKeyDGIODHUQSYKFKR-UHFFFAOYSA-N
XLogP2.62
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-chlorophenyl)methylcarbamoyl]cyclohex-3-ene-1-carboxylic acid?
The IUPAC name of 6-[(4-chlorophenyl)methylcarbamoyl]cyclohex-3-ene-1-carboxylic acid (CID 2902977) is 6-[(4-chlorophenyl)methylcarbamoyl]cyclohex-3-ene-1-carboxylic acid.
What is the SMILES notation for 6-[(4-chlorophenyl)methylcarbamoyl]cyclohex-3-ene-1-carboxylic acid?
The canonical SMILES for 6-[(4-chlorophenyl)methylcarbamoyl]cyclohex-3-ene-1-carboxylic acid is O=C(O)C1CC=CCC1C(=O)NCc1ccc(Cl)cc1.
What is the InChIKey of 6-[(4-chlorophenyl)methylcarbamoyl]cyclohex-3-ene-1-carboxylic acid?
The InChIKey is DGIODHUQSYKFKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO3/c16-11-7-5-10(6-8-11)9-17-14(18)12-3-1-2-4-13(12)15(19)20/h1-2,5-8,12-13H,3-4,9H2,(H,17,18)(H,19,20).
What are the key properties of 6-[(4-chlorophenyl)methylcarbamoyl]cyclohex-3-ene-1-carboxylic acid?
6-[(4-chlorophenyl)methylcarbamoyl]cyclohex-3-ene-1-carboxylic acid has a molecular weight of 293.75 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-chlorophenyl)methylcarbamoyl]cyclohex-3-ene-1-carboxylic acid is sourced from PubChem (CID 2902977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).