[(2R)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] (1R)-cyclohex-3-ene-1-carboxylate

C19H21NO3 — CID 7932524

IUPAC[(2R)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] (1R)-cyclohex-3-ene-1-carboxylate
SMILESCc1[nH]c2ccccc2c1C(=O)[C@@H](C)OC(=O)[C@H]1CC=CCC1
InChIInChI=1S/C19H21NO3/c1-12-17(15-10-6-7-11-16(15)20-12)18(21)13(2)23-19(22)14-8-4-3-5-9-14/h3-4,6-7,10-11,13-14,20H,5,8-9H2,1-2H3/t13-,14+/m1/s1
InChIKeyFXLYXKVUKQDDMS-KGLIPLIRSA-N
MW311.38 g/mol
LogP3.95
Rot. Bonds4

About [(2R)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] (1R)-cyclohex-3-ene-1-carboxylate

[(2R)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] (1R)-cyclohex-3-ene-1-carboxylate (PubChem CID 7932524) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is [(2R)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] (1R)-cyclohex-3-ene-1-carboxylate.

Molecular Properties

Compound Name[(2R)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] (1R)-cyclohex-3-ene-1-carboxylate
PubChem CID7932524
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name[(2R)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] (1R)-cyclohex-3-ene-1-carboxylate
SMILESCc1[nH]c2ccccc2c1C(=O)[C@@H](C)OC(=O)[C@H]1CC=CCC1
InChIInChI=1S/C19H21NO3/c1-12-17(15-10-6-7-11-16(15)20-12)18(21)13(2)23-19(22)14-8-4-3-5-9-14/h3-4,6-7,10-11,13-14,20H,5,8-9H2,1-2H3/t13-,14+/m1/s1
InChIKeyFXLYXKVUKQDDMS-KGLIPLIRSA-N
XLogP3.95
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [(2R)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] (1R)-cyclohex-3-ene-1-carboxylate with MolForge

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Related Compounds

[(2R)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] cyclobutanecarboxylate
CID 8019458
cis-[(2R)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] (1R,2S)-2-methylcyclopropane-1-carboxylate
CID 11921076
2-(cyclohex-3-ene-1-carbonyl)-3-(2-methyl-1H-indol-3-yl)-3-oxopropanenitrile
CID 51085287
[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 3-[(3aS,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]propanoate
CID 7351083
[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 2-chlorobenzoate
CID 7477053
[(2R)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 1H-indole-3-carboxylate
CID 7517605
[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 1H-indazole-3-carboxylate
CID 7372650
[(2R)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 4-methylpentanoate
CID 7848272
[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] (2R)-2-hydroxy-2-phenylacetate
CID 7821861
[1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 2,2-dichloro-1-methylcyclopropane-1-carboxylate
CID 46789976
[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 4-bromobenzoate
CID 7889689
[1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 3-methyl-1-benzofuran-2-carboxylate
CID 16506315

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] (1R)-cyclohex-3-ene-1-carboxylate?
The IUPAC name of [(2R)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] (1R)-cyclohex-3-ene-1-carboxylate (CID 7932524) is [(2R)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] (1R)-cyclohex-3-ene-1-carboxylate.
What is the SMILES notation for [(2R)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] (1R)-cyclohex-3-ene-1-carboxylate?
The canonical SMILES for [(2R)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] (1R)-cyclohex-3-ene-1-carboxylate is Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)OC(=O)[C@H]1CC=CCC1.
What is the InChIKey of [(2R)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] (1R)-cyclohex-3-ene-1-carboxylate?
The InChIKey is FXLYXKVUKQDDMS-KGLIPLIRSA-N. The full InChI is InChI=1S/C19H21NO3/c1-12-17(15-10-6-7-11-16(15)20-12)18(21)13(2)23-19(22)14-8-4-3-5-9-14/h3-4,6-7,10-11,13-14,20H,5,8-9H2,1-2H3/t13-,14+/m1/s1.
What are the key properties of [(2R)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] (1R)-cyclohex-3-ene-1-carboxylate?
[(2R)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] (1R)-cyclohex-3-ene-1-carboxylate has a molecular weight of 311.38 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] (1R)-cyclohex-3-ene-1-carboxylate is sourced from PubChem (CID 7932524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).