5-(oxirane-2-carbonyl)-1,3-dihydroindol-2-one

C11H9NO3 — CID 116826431

IUPAC5-(oxirane-2-carbonyl)-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(C(=O)C3CO3)ccc2N1
InChIInChI=1S/C11H9NO3/c13-10-4-7-3-6(1-2-8(7)12-10)11(14)9-5-15-9/h1-3,9H,4-5H2,(H,12,13)
InChIKeyUZQDCCMMCYHJCQ-UHFFFAOYSA-N
MW203.20 g/mol
LogP0.76
Rot. Bonds2

About 5-(oxirane-2-carbonyl)-1,3-dihydroindol-2-one

5-(oxirane-2-carbonyl)-1,3-dihydroindol-2-one (PubChem CID 116826431) has the molecular formula C11H9NO3 and a molecular weight of 203.20 g/mol. Its IUPAC name is 5-(oxirane-2-carbonyl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-(oxirane-2-carbonyl)-1,3-dihydroindol-2-one
PubChem CID116826431
Molecular FormulaC11H9NO3
Molecular Weight203.20 g/mol
Exact Mass203.06
IUPAC Name5-(oxirane-2-carbonyl)-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(C(=O)C3CO3)ccc2N1
InChIInChI=1S/C11H9NO3/c13-10-4-7-3-6(1-2-8(7)12-10)11(14)9-5-15-9/h1-3,9H,4-5H2,(H,12,13)
InChIKeyUZQDCCMMCYHJCQ-UHFFFAOYSA-N
XLogP0.76
TPSA58.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

5-(oxolane-2-carbonyl)-1,3-dihydroindol-2-one
CID 43160614
5-(cyclopentanecarbonyl)-1,3-dihydroindol-2-one
CID 43160619
5-(cyclooctanecarbonyl)-1,3-dihydroindol-2-one
CID 65018582
5-(2-methyloxolane-3-carbonyl)-1,3-dihydroindol-2-one
CID 79759211
cis-(1R,2S)-2-(2-oxo-1,3-dihydroindole-5-carbonyl)cyclobutane-1-carboxylic acid
CID 22827913
5-(2,2-dimethylpropanoyl)-1,3-dihydroindol-2-one
CID 43160600
2-oxo-1,3-dihydroindole-5-carbonyl cyanide
CID 116918958
5-(2,2,2-trifluoroacetyl)-1,3-dihydroindol-2-one
CID 80503823
4-(2-oxo-1,3-dihydroindole-5-carbonyl)piperazine-2,6-dione
CID 102712522
5-(3,5-difluorobenzoyl)-1,3-dihydroindol-2-one
CID 43338600
2-methyl-3-oxo-3-(2-oxo-1,3-dihydroindol-5-yl)propanoic acid
CID 116918199
5-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]-1,3-dihydroindol-2-one
CID 103309352

Frequently Asked Questions

What is the IUPAC name of 5-(oxirane-2-carbonyl)-1,3-dihydroindol-2-one?
The IUPAC name of 5-(oxirane-2-carbonyl)-1,3-dihydroindol-2-one (CID 116826431) is 5-(oxirane-2-carbonyl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-(oxirane-2-carbonyl)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-(oxirane-2-carbonyl)-1,3-dihydroindol-2-one is O=C1Cc2cc(C(=O)C3CO3)ccc2N1.
What is the InChIKey of 5-(oxirane-2-carbonyl)-1,3-dihydroindol-2-one?
The InChIKey is UZQDCCMMCYHJCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO3/c13-10-4-7-3-6(1-2-8(7)12-10)11(14)9-5-15-9/h1-3,9H,4-5H2,(H,12,13).
What are the key properties of 5-(oxirane-2-carbonyl)-1,3-dihydroindol-2-one?
5-(oxirane-2-carbonyl)-1,3-dihydroindol-2-one has a molecular weight of 203.20 g/mol, XLogP of 0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(oxirane-2-carbonyl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 116826431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).