[2-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoethyl] 2-[(1S)-cyclopent-2-en-1-yl]acetate

C18H19NO4 — CID 8999661

IUPAC[2-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoethyl] 2-[(1S)-cyclopent-2-en-1-yl]acetate
SMILESCN1C(=O)Cc2cc(C(=O)COC(=O)C[C@H]3C=CCC3)ccc21
InChIInChI=1S/C18H19NO4/c1-19-15-7-6-13(9-14(15)10-17(19)21)16(20)11-23-18(22)8-12-4-2-3-5-12/h2,4,6-7,9,12H,3,5,8,10-11H2,1H3/t12-/m0/s1
InChIKeyPTMNTXDXFHKNRV-LBPRGKRZSA-N
MW313.35 g/mol
LogP2.29
Rot. Bonds5

About [2-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoethyl] 2-[(1S)-cyclopent-2-en-1-yl]acetate

[2-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoethyl] 2-[(1S)-cyclopent-2-en-1-yl]acetate (PubChem CID 8999661) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is [2-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoethyl] 2-[(1S)-cyclopent-2-en-1-yl]acetate.

Molecular Properties

Compound Name[2-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoethyl] 2-[(1S)-cyclopent-2-en-1-yl]acetate
PubChem CID8999661
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC Name[2-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoethyl] 2-[(1S)-cyclopent-2-en-1-yl]acetate
SMILESCN1C(=O)Cc2cc(C(=O)COC(=O)C[C@H]3C=CCC3)ccc21
InChIInChI=1S/C18H19NO4/c1-19-15-7-6-13(9-14(15)10-17(19)21)16(20)11-23-18(22)8-12-4-2-3-5-12/h2,4,6-7,9,12H,3,5,8,10-11H2,1H3/t12-/m0/s1
InChIKeyPTMNTXDXFHKNRV-LBPRGKRZSA-N
XLogP2.29
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [2-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoethyl] 2-[(1S)-cyclopent-2-en-1-yl]acetate with MolForge

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Launch Full Analysis

Related Compounds

[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 2-[(1R)-cyclopent-2-en-1-yl]acetate
CID 9066215
[2-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
CID 9306119
[2-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoethyl] 2-(2,5-difluorophenyl)sulfanylacetate
CID 9001028
[2-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoethyl] 2-(2-tert-butylphenoxy)acetate
CID 9309792
[2-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoethyl] 3-fluoro-4-methylbenzoate
CID 9387316
(3aR,7aR)-2-[2-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoethyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 8543367
5-(3-aminobutanoyl)-1-methyl-3H-indol-2-one
CID 116915591
5-[2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]-1-methyl-3H-indol-2-one
CID 8889956
[2-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoethyl] 4-(ethylsulfamoyl)benzoate
CID 8954805
[2-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate
CID 8951668
[2-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 8575012
1-methyl-5-(2-phenylacetyl)-3H-indol-2-one
CID 43339443

Frequently Asked Questions

What is the IUPAC name of [2-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoethyl] 2-[(1S)-cyclopent-2-en-1-yl]acetate?
The IUPAC name of [2-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoethyl] 2-[(1S)-cyclopent-2-en-1-yl]acetate (CID 8999661) is [2-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoethyl] 2-[(1S)-cyclopent-2-en-1-yl]acetate.
What is the SMILES notation for [2-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoethyl] 2-[(1S)-cyclopent-2-en-1-yl]acetate?
The canonical SMILES for [2-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoethyl] 2-[(1S)-cyclopent-2-en-1-yl]acetate is CN1C(=O)Cc2cc(C(=O)COC(=O)C[C@H]3C=CCC3)ccc21.
What is the InChIKey of [2-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoethyl] 2-[(1S)-cyclopent-2-en-1-yl]acetate?
The InChIKey is PTMNTXDXFHKNRV-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H19NO4/c1-19-15-7-6-13(9-14(15)10-17(19)21)16(20)11-23-18(22)8-12-4-2-3-5-12/h2,4,6-7,9,12H,3,5,8,10-11H2,1H3/t12-/m0/s1.
What are the key properties of [2-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoethyl] 2-[(1S)-cyclopent-2-en-1-yl]acetate?
[2-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoethyl] 2-[(1S)-cyclopent-2-en-1-yl]acetate has a molecular weight of 313.35 g/mol, XLogP of 2.29, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoethyl] 2-[(1S)-cyclopent-2-en-1-yl]acetate is sourced from PubChem (CID 8999661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).