6-(cyclopropylcarbamoyl)cyclohex-3-ene-1-carboxylic acid

C11H15NO3 — CID 3613672

IUPAC6-(cyclopropylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
SMILESO=C(O)C1CC=CCC1C(=O)NC1CC1
InChIInChI=1S/C11H15NO3/c13-10(12-7-5-6-7)8-3-1-2-4-9(8)11(14)15/h1-2,7-9H,3-6H2,(H,12,13)(H,14,15)
InChIKeyIGBLGCCLFYDMDG-UHFFFAOYSA-N
MW209.24 g/mol
LogP0.93
Rot. Bonds3

About 6-(cyclopropylcarbamoyl)cyclohex-3-ene-1-carboxylic acid

6-(cyclopropylcarbamoyl)cyclohex-3-ene-1-carboxylic acid (PubChem CID 3613672) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is 6-(cyclopropylcarbamoyl)cyclohex-3-ene-1-carboxylic acid.

Molecular Properties

Compound Name6-(cyclopropylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
PubChem CID3613672
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Name6-(cyclopropylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
SMILESO=C(O)C1CC=CCC1C(=O)NC1CC1
InChIInChI=1S/C11H15NO3/c13-10(12-7-5-6-7)8-3-1-2-4-9(8)11(14)15/h1-2,7-9H,3-6H2,(H,12,13)(H,14,15)
InChIKeyIGBLGCCLFYDMDG-UHFFFAOYSA-N
XLogP0.93
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-(Propan-2-ylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 4659978
6-[(1-Propylpiperidin-4-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 6470296
6-(Pentylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 4055137
6-Allylcarbamoyl-cyclohex-3-enecarboxylic acid
CID 350821
6-(Cyclohexylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 2901796
4-Chloro-6-[(cyclohexylamino)carbonyl]-3-cyclohexene-1-carboxylic acid
CID 2939304
6-Cyclohexylcarbamoyl-4-methyl-cyclohex-3-enecarboxylic acid
CID 3151041
6-{N-[3-(2-oxopyrrolidinyl)propyl]carbamoyl}cyclohex-3-enecarboxylic acid
CID 17379032
6-{[(2-Ethylhexyl)amino]carbonyl}-3-cyclohexene-1-carboxylic acid
CID 2932169
6-[(2-Methylcyclohexyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 4690722
6-(Cyclopentylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 2931920
2-[(Cyclohex-3-ene-1-carbonylamino)methyl]-3-cyclopropylpropanoic acid
CID 132387651

Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropylcarbamoyl)cyclohex-3-ene-1-carboxylic acid?
The IUPAC name of 6-(cyclopropylcarbamoyl)cyclohex-3-ene-1-carboxylic acid (CID 3613672) is 6-(cyclopropylcarbamoyl)cyclohex-3-ene-1-carboxylic acid.
What is the SMILES notation for 6-(cyclopropylcarbamoyl)cyclohex-3-ene-1-carboxylic acid?
The canonical SMILES for 6-(cyclopropylcarbamoyl)cyclohex-3-ene-1-carboxylic acid is O=C(O)C1CC=CCC1C(=O)NC1CC1.
What is the InChIKey of 6-(cyclopropylcarbamoyl)cyclohex-3-ene-1-carboxylic acid?
The InChIKey is IGBLGCCLFYDMDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c13-10(12-7-5-6-7)8-3-1-2-4-9(8)11(14)15/h1-2,7-9H,3-6H2,(H,12,13)(H,14,15).
What are the key properties of 6-(cyclopropylcarbamoyl)cyclohex-3-ene-1-carboxylic acid?
6-(cyclopropylcarbamoyl)cyclohex-3-ene-1-carboxylic acid has a molecular weight of 209.24 g/mol, XLogP of 0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropylcarbamoyl)cyclohex-3-ene-1-carboxylic acid is sourced from PubChem (CID 3613672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).