1-acetyl-3a,4-dihydro-3H-indol-2-one

C10H11NO2 — CID 151705115

IUPAC1-acetyl-3a,4-dihydro-3H-indol-2-one
SMILESCC(=O)N1C(=O)CC2CC=CC=C21
InChIInChI=1S/C10H11NO2/c1-7(12)11-9-5-3-2-4-8(9)6-10(11)13/h2-3,5,8H,4,6H2,1H3
InChIKeyRFKKYSZGTVOLSZ-UHFFFAOYSA-N
MW177.20 g/mol
LogP1.23
Rot. Bonds

About 1-acetyl-3a,4-dihydro-3H-indol-2-one

1-acetyl-3a,4-dihydro-3H-indol-2-one (PubChem CID 151705115) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is 1-acetyl-3a,4-dihydro-3H-indol-2-one.

Molecular Properties

Compound Name1-acetyl-3a,4-dihydro-3H-indol-2-one
PubChem CID151705115
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name1-acetyl-3a,4-dihydro-3H-indol-2-one
SMILESCC(=O)N1C(=O)CC2CC=CC=C21
InChIInChI=1S/C10H11NO2/c1-7(12)11-9-5-3-2-4-8(9)6-10(11)13/h2-3,5,8H,4,6H2,1H3
InChIKeyRFKKYSZGTVOLSZ-UHFFFAOYSA-N
XLogP1.23
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Tetrahydroindolone
CID 21615589
4-Fluoro-1,3,3a,4-tetrahydroindol-2-one
CID 140157495
6-fluoro-1-propyl-3a,4-dihydro-3H-indol-2-one
CID 141049129
3,3-Difluoro-1-methyl-3a,4-dihydroindol-2-one
CID 141161913
3,3-Difluoro-1-(methoxymethyl)-3a,4-dihydroindol-2-one
CID 141185855
6-fluoro-1-methyl-7-prop-2-enyl-3a,4-dihydro-3H-indol-2-one
CID 141745718
1-Acetyl-6-fluoro-3a-methyl-3,4-dihydroindol-2-one
CID 143836685
2-tert-butyl-7-methylidene-4,7a-dihydro-3aH-isoindole-1,3-dione
CID 68133059
2-oxo-3a,4-dihydro-3H-indole-1-carboxamide
CID 70180272
1-cyclohexa-2,4-dien-1-yl-2,6-dihydro-1H-pyrrolizine-3,5-dione
CID 70409400
1-hydroxy-3-methyl-3a,4-dihydro-3H-indol-2-one
CID 70645703
2-Tert-butyl-3-methylidene-3a,4,7,7a-tetrahydroisoindol-1-one
CID 89417427

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-3a,4-dihydro-3H-indol-2-one?
The IUPAC name of 1-acetyl-3a,4-dihydro-3H-indol-2-one (CID 151705115) is 1-acetyl-3a,4-dihydro-3H-indol-2-one.
What is the SMILES notation for 1-acetyl-3a,4-dihydro-3H-indol-2-one?
The canonical SMILES for 1-acetyl-3a,4-dihydro-3H-indol-2-one is CC(=O)N1C(=O)CC2CC=CC=C21.
What is the InChIKey of 1-acetyl-3a,4-dihydro-3H-indol-2-one?
The InChIKey is RFKKYSZGTVOLSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c1-7(12)11-9-5-3-2-4-8(9)6-10(11)13/h2-3,5,8H,4,6H2,1H3.
What are the key properties of 1-acetyl-3a,4-dihydro-3H-indol-2-one?
1-acetyl-3a,4-dihydro-3H-indol-2-one has a molecular weight of 177.20 g/mol, XLogP of 1.23, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-3a,4-dihydro-3H-indol-2-one is sourced from PubChem (CID 151705115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).