1-hydroxy-3-methyl-3a,4-dihydro-3H-indol-2-one

C9H11NO2 — CID 70645703

IUPAC1-hydroxy-3-methyl-3a,4-dihydro-3H-indol-2-one
SMILESCC1C(=O)N(O)C2=CC=CCC21
InChIInChI=1S/C9H11NO2/c1-6-7-4-2-3-5-8(7)10(12)9(6)11/h2-3,5-7,12H,4H2,1H3
InChIKeyTVQAIXHRUWANAE-UHFFFAOYSA-N
MW165.19 g/mol
LogP1.31
Rot. Bonds

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

1-hydroxy-3-methyl-3a,4-dihydro-3H-indol-2-one (PubChem CID 70645703) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is 1-hydroxy-3-methyl-3a,4-dihydro-3H-indol-2-one.

Molecular Properties

Compound Name1-hydroxy-3-methyl-3a,4-dihydro-3H-indol-2-one
PubChem CID70645703
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Name1-hydroxy-3-methyl-3a,4-dihydro-3H-indol-2-one
SMILESCC1C(=O)N(O)C2=CC=CCC21
InChIInChI=1S/C9H11NO2/c1-6-7-4-2-3-5-8(7)10(12)9(6)11/h2-3,5-7,12H,4H2,1H3
InChIKeyTVQAIXHRUWANAE-UHFFFAOYSA-N
XLogP1.31
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-3-methyl-3a,4-dihydro-3H-indol-2-one?
The IUPAC name of 1-hydroxy-3-methyl-3a,4-dihydro-3H-indol-2-one (CID 70645703) is 1-hydroxy-3-methyl-3a,4-dihydro-3H-indol-2-one.
What is the SMILES notation for 1-hydroxy-3-methyl-3a,4-dihydro-3H-indol-2-one?
The canonical SMILES for 1-hydroxy-3-methyl-3a,4-dihydro-3H-indol-2-one is CC1C(=O)N(O)C2=CC=CCC21.
What is the InChIKey of 1-hydroxy-3-methyl-3a,4-dihydro-3H-indol-2-one?
The InChIKey is TVQAIXHRUWANAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2/c1-6-7-4-2-3-5-8(7)10(12)9(6)11/h2-3,5-7,12H,4H2,1H3.
What are the key properties of 1-hydroxy-3-methyl-3a,4-dihydro-3H-indol-2-one?
1-hydroxy-3-methyl-3a,4-dihydro-3H-indol-2-one has a molecular weight of 165.19 g/mol, XLogP of 1.31, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-3-methyl-3a,4-dihydro-3H-indol-2-one is sourced from PubChem (CID 70645703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).