6-(cyclohex-3-ene-1-carbonylamino)-1H-indole-3-carboxylic acid

C16H16N2O3 — CID 167836314

IUPAC6-(cyclohex-3-ene-1-carbonylamino)-1H-indole-3-carboxylic acid
SMILESO=C(O)c1c[nH]c2cc(NC(=O)C3CC=CCC3)ccc12
InChIInChI=1S/C16H16N2O3/c19-15(10-4-2-1-3-5-10)18-11-6-7-12-13(16(20)21)9-17-14(12)8-11/h1-2,6-10,17H,3-5H2,(H,18,19)(H,20,21)
InChIKeyOSIKZLVJBOVRNS-UHFFFAOYSA-N
MW284.32 g/mol
LogP3.16
Rot. Bonds3

About 6-(cyclohex-3-ene-1-carbonylamino)-1H-indole-3-carboxylic acid

6-(cyclohex-3-ene-1-carbonylamino)-1H-indole-3-carboxylic acid (PubChem CID 167836314) has the molecular formula C16H16N2O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is 6-(cyclohex-3-ene-1-carbonylamino)-1H-indole-3-carboxylic acid.

Molecular Properties

Compound Name6-(cyclohex-3-ene-1-carbonylamino)-1H-indole-3-carboxylic acid
PubChem CID167836314
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC Name6-(cyclohex-3-ene-1-carbonylamino)-1H-indole-3-carboxylic acid
SMILESO=C(O)c1c[nH]c2cc(NC(=O)C3CC=CCC3)ccc12
InChIInChI=1S/C16H16N2O3/c19-15(10-4-2-1-3-5-10)18-11-6-7-12-13(16(20)21)9-17-14(12)8-11/h1-2,6-10,17H,3-5H2,(H,18,19)(H,20,21)
InChIKeyOSIKZLVJBOVRNS-UHFFFAOYSA-N
XLogP3.16
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 53.16
H-Bond Donors ≤ 53
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-(cyclohex-3-ene-1-carbonylamino)-1H-indole-3-carboxylic acid?
The IUPAC name of 6-(cyclohex-3-ene-1-carbonylamino)-1H-indole-3-carboxylic acid (CID 167836314) is 6-(cyclohex-3-ene-1-carbonylamino)-1H-indole-3-carboxylic acid.
What is the SMILES notation for 6-(cyclohex-3-ene-1-carbonylamino)-1H-indole-3-carboxylic acid?
The canonical SMILES for 6-(cyclohex-3-ene-1-carbonylamino)-1H-indole-3-carboxylic acid is O=C(O)c1c[nH]c2cc(NC(=O)C3CC=CCC3)ccc12.
What is the InChIKey of 6-(cyclohex-3-ene-1-carbonylamino)-1H-indole-3-carboxylic acid?
The InChIKey is OSIKZLVJBOVRNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c19-15(10-4-2-1-3-5-10)18-11-6-7-12-13(16(20)21)9-17-14(12)8-11/h1-2,6-10,17H,3-5H2,(H,18,19)(H,20,21).
What are the key properties of 6-(cyclohex-3-ene-1-carbonylamino)-1H-indole-3-carboxylic acid?
6-(cyclohex-3-ene-1-carbonylamino)-1H-indole-3-carboxylic acid has a molecular weight of 284.32 g/mol, XLogP of 3.16, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclohex-3-ene-1-carbonylamino)-1H-indole-3-carboxylic acid is sourced from PubChem (CID 167836314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).