[(1S)-2-oxocyclohexyl] 1H-indole-2-carboxylate

C15H15NO3 — CID 8013052

IUPAC[(1S)-2-oxocyclohexyl] 1H-indole-2-carboxylate
SMILESO=C(O[C@H]1CCCCC1=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C15H15NO3/c17-13-7-3-4-8-14(13)19-15(18)12-9-10-5-1-2-6-11(10)16-12/h1-2,5-6,9,14,16H,3-4,7-8H2/t14-/m0/s1
InChIKeyNZMSSPXXDXNFKO-AWEZNQCLSA-N
MW257.29 g/mol
LogP2.84
Rot. Bonds2

About [(1S)-2-oxocyclohexyl] 1H-indole-2-carboxylate

[(1S)-2-oxocyclohexyl] 1H-indole-2-carboxylate (PubChem CID 8013052) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is [(1S)-2-oxocyclohexyl] 1H-indole-2-carboxylate.

Molecular Properties

Compound Name[(1S)-2-oxocyclohexyl] 1H-indole-2-carboxylate
PubChem CID8013052
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name[(1S)-2-oxocyclohexyl] 1H-indole-2-carboxylate
SMILESO=C(O[C@H]1CCCCC1=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C15H15NO3/c17-13-7-3-4-8-14(13)19-15(18)12-9-10-5-1-2-6-11(10)16-12/h1-2,5-6,9,14,16H,3-4,7-8H2/t14-/m0/s1
InChIKeyNZMSSPXXDXNFKO-AWEZNQCLSA-N
XLogP2.84
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(1S)-2-oxocyclohexyl] 1H-indole-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(1S)-2-oxocyclohexyl] 1H-indole-2-carboxylate?
The IUPAC name of [(1S)-2-oxocyclohexyl] 1H-indole-2-carboxylate (CID 8013052) is [(1S)-2-oxocyclohexyl] 1H-indole-2-carboxylate.
What is the SMILES notation for [(1S)-2-oxocyclohexyl] 1H-indole-2-carboxylate?
The canonical SMILES for [(1S)-2-oxocyclohexyl] 1H-indole-2-carboxylate is O=C(O[C@H]1CCCCC1=O)c1cc2ccccc2[nH]1.
What is the InChIKey of [(1S)-2-oxocyclohexyl] 1H-indole-2-carboxylate?
The InChIKey is NZMSSPXXDXNFKO-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H15NO3/c17-13-7-3-4-8-14(13)19-15(18)12-9-10-5-1-2-6-11(10)16-12/h1-2,5-6,9,14,16H,3-4,7-8H2/t14-/m0/s1.
What are the key properties of [(1S)-2-oxocyclohexyl] 1H-indole-2-carboxylate?
[(1S)-2-oxocyclohexyl] 1H-indole-2-carboxylate has a molecular weight of 257.29 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2-oxocyclohexyl] 1H-indole-2-carboxylate is sourced from PubChem (CID 8013052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).