3-hydroxy-2-methyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-one

C10H17NO2 — CID 130136372

IUPAC3-hydroxy-2-methyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-one
SMILESCC1NC2CCCCC2C(=O)C1O
InChIInChI=1S/C10H17NO2/c1-6-9(12)10(13)7-4-2-3-5-8(7)11-6/h6-9,11-12H,2-5H2,1H3
InChIKeyOUZXJIYUEPCHDG-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.47
Rot. Bonds

About 3-hydroxy-2-methyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-one

3-hydroxy-2-methyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-one (PubChem CID 130136372) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 3-hydroxy-2-methyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-one.

Molecular Properties

Compound Name3-hydroxy-2-methyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-one
PubChem CID130136372
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name3-hydroxy-2-methyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-one
SMILESCC1NC2CCCCC2C(=O)C1O
InChIInChI=1S/C10H17NO2/c1-6-9(12)10(13)7-4-2-3-5-8(7)11-6/h6-9,11-12H,2-5H2,1H3
InChIKeyOUZXJIYUEPCHDG-UHFFFAOYSA-N
XLogP0.47
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-methyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-one?
The IUPAC name of 3-hydroxy-2-methyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-one (CID 130136372) is 3-hydroxy-2-methyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-one.
What is the SMILES notation for 3-hydroxy-2-methyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-one?
The canonical SMILES for 3-hydroxy-2-methyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-one is CC1NC2CCCCC2C(=O)C1O.
What is the InChIKey of 3-hydroxy-2-methyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-one?
The InChIKey is OUZXJIYUEPCHDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-6-9(12)10(13)7-4-2-3-5-8(7)11-6/h6-9,11-12H,2-5H2,1H3.
What are the key properties of 3-hydroxy-2-methyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-one?
3-hydroxy-2-methyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-one has a molecular weight of 183.25 g/mol, XLogP of 0.47, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-methyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-one is sourced from PubChem (CID 130136372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).