4-chloro-6-(cyclohexylcarbamoyl)cyclohex-3-ene-1-carboxylic acid

C14H20ClNO3 — CID 2939304

IUPAC4-chloro-6-(cyclohexylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
SMILESO=C(O)C1CC=C(Cl)CC1C(=O)NC1CCCCC1
InChIInChI=1S/C14H20ClNO3/c15-9-6-7-11(14(18)19)12(8-9)13(17)16-10-4-2-1-3-5-10/h6,10-12H,1-5,7-8H2,(H,16,17)(H,18,19)
InChIKeyOUULHQDOHGXNAE-UHFFFAOYSA-N
MW285.77 g/mol
LogP2.67
Rot. Bonds3

About 4-chloro-6-(cyclohexylcarbamoyl)cyclohex-3-ene-1-carboxylic acid

4-chloro-6-(cyclohexylcarbamoyl)cyclohex-3-ene-1-carboxylic acid (PubChem CID 2939304) has the molecular formula C14H20ClNO3 and a molecular weight of 285.77 g/mol. Its IUPAC name is 4-chloro-6-(cyclohexylcarbamoyl)cyclohex-3-ene-1-carboxylic acid.

Molecular Properties

Compound Name4-chloro-6-(cyclohexylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
PubChem CID2939304
Molecular FormulaC14H20ClNO3
Molecular Weight285.77 g/mol
Exact Mass285.11
IUPAC Name4-chloro-6-(cyclohexylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
SMILESO=C(O)C1CC=C(Cl)CC1C(=O)NC1CCCCC1
InChIInChI=1S/C14H20ClNO3/c15-9-6-7-11(14(18)19)12(8-9)13(17)16-10-4-2-1-3-5-10/h6,10-12H,1-5,7-8H2,(H,16,17)(H,18,19)
InChIKeyOUULHQDOHGXNAE-UHFFFAOYSA-N
XLogP2.67
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(cyclohexylcarbamoyl)cyclohex-3-ene-1-carboxylic acid?
The IUPAC name of 4-chloro-6-(cyclohexylcarbamoyl)cyclohex-3-ene-1-carboxylic acid (CID 2939304) is 4-chloro-6-(cyclohexylcarbamoyl)cyclohex-3-ene-1-carboxylic acid.
What is the SMILES notation for 4-chloro-6-(cyclohexylcarbamoyl)cyclohex-3-ene-1-carboxylic acid?
The canonical SMILES for 4-chloro-6-(cyclohexylcarbamoyl)cyclohex-3-ene-1-carboxylic acid is O=C(O)C1CC=C(Cl)CC1C(=O)NC1CCCCC1.
What is the InChIKey of 4-chloro-6-(cyclohexylcarbamoyl)cyclohex-3-ene-1-carboxylic acid?
The InChIKey is OUULHQDOHGXNAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO3/c15-9-6-7-11(14(18)19)12(8-9)13(17)16-10-4-2-1-3-5-10/h6,10-12H,1-5,7-8H2,(H,16,17)(H,18,19).
What are the key properties of 4-chloro-6-(cyclohexylcarbamoyl)cyclohex-3-ene-1-carboxylic acid?
4-chloro-6-(cyclohexylcarbamoyl)cyclohex-3-ene-1-carboxylic acid has a molecular weight of 285.77 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(cyclohexylcarbamoyl)cyclohex-3-ene-1-carboxylic acid is sourced from PubChem (CID 2939304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).