(1S,6R)-6-(cyclopropylcarbamoyl)cyclohex-3-ene-1-carboxylic acid

C11H15NO3 — CID 40569411

IUPAC(1S,6R)-6-(cyclopropylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
SMILESO=C(O)[C@H]1CC=CC[C@H]1C(=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)/t8-,9+/m1/s1
InChIKeyIGBLGCCLFYDMDG-BDAKNGLRSA-N
MW209.24 g/mol
LogP0.93
Rot. Bonds3

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

(1S,6R)-6-(cyclopropylcarbamoyl)cyclohex-3-ene-1-carboxylic acid (PubChem CID 40569411) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is (1S,6R)-6-(cyclopropylcarbamoyl)cyclohex-3-ene-1-carboxylic acid.

Molecular Properties

Compound Name(1S,6R)-6-(cyclopropylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
PubChem CID40569411
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Name(1S,6R)-6-(cyclopropylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
SMILESO=C(O)[C@H]1CC=CC[C@H]1C(=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)/t8-,9+/m1/s1
InChIKeyIGBLGCCLFYDMDG-BDAKNGLRSA-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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Frequently Asked Questions

What is the IUPAC name of (1S,6R)-6-(cyclopropylcarbamoyl)cyclohex-3-ene-1-carboxylic acid?
The IUPAC name of (1S,6R)-6-(cyclopropylcarbamoyl)cyclohex-3-ene-1-carboxylic acid (CID 40569411) is (1S,6R)-6-(cyclopropylcarbamoyl)cyclohex-3-ene-1-carboxylic acid.
What is the SMILES notation for (1S,6R)-6-(cyclopropylcarbamoyl)cyclohex-3-ene-1-carboxylic acid?
The canonical SMILES for (1S,6R)-6-(cyclopropylcarbamoyl)cyclohex-3-ene-1-carboxylic acid is O=C(O)[C@H]1CC=CC[C@H]1C(=O)NC1CC1.
What is the InChIKey of (1S,6R)-6-(cyclopropylcarbamoyl)cyclohex-3-ene-1-carboxylic acid?
The InChIKey is IGBLGCCLFYDMDG-BDAKNGLRSA-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)/t8-,9+/m1/s1.
What are the key properties of (1S,6R)-6-(cyclopropylcarbamoyl)cyclohex-3-ene-1-carboxylic acid?
(1S,6R)-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 (1S,6R)-6-(cyclopropylcarbamoyl)cyclohex-3-ene-1-carboxylic acid is sourced from PubChem (CID 40569411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).