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

C10H17NO3 — CID 130133529

IUPAC4-hydroxy-7-methoxy-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-2-one
SMILESCOC1CCC2C(O)CC(=O)NC2C1
InChIInChI=1S/C10H17NO3/c1-14-6-2-3-7-8(4-6)11-10(13)5-9(7)12/h6-9,12H,2-5H2,1H3,(H,11,13)
InChIKeyHNWPIVLJHHVJNK-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.05
Rot. Bonds1

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

4-hydroxy-7-methoxy-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-2-one (PubChem CID 130133529) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 4-hydroxy-7-methoxy-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-2-one.

Molecular Properties

Compound Name4-hydroxy-7-methoxy-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-2-one
PubChem CID130133529
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name4-hydroxy-7-methoxy-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-2-one
SMILESCOC1CCC2C(O)CC(=O)NC2C1
InChIInChI=1S/C10H17NO3/c1-14-6-2-3-7-8(4-6)11-10(13)5-9(7)12/h6-9,12H,2-5H2,1H3,(H,11,13)
InChIKeyHNWPIVLJHHVJNK-UHFFFAOYSA-N
XLogP0.05
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-hydroxy-7-methoxy-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-2-one with MolForge

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Launch Full Analysis

Related Compounds

cis-(1S,3R)-1,3-dimethoxycyclopentane
CID 22214084
trans-(1S,3S)-3-methoxycyclopentan-1-ol
CID 97049174
(4aR,6R,8aS)-6-methoxy-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxaline
CID 92759205
tert-butyl (1S,6R,7S)-3-oxo-2-azabicyclo[4.2.0]octane-7-carboxylate
CID 163662786
(4S)-4-[(1S,3S)-3-methoxy-2-oxocyclohexyl]azetidin-2-one
CID 15297915
5-methoxy-2-azabicyclo[2.2.0]hexan-3-one
CID 13437990
(5S)-5-[(2S)-5-oxopyrrolidin-2-yl]pyrrolidin-2-one
CID 7061092
methyl 4-[(2S,5R)-2-hydroxy-5-methoxycyclohexyl]benzoate
CID 176958081
trans-(3R,5R)-3,5-dimethoxycyclohexan-1-one
CID 22213714
N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]-2-phenylacetamide
CID 75280036
(4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)piperidin-2-one
CID 89395311
(4R)-4-methoxypyrrolidin-2-one
CID 67765203

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-7-methoxy-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-2-one?
The IUPAC name of 4-hydroxy-7-methoxy-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-2-one (CID 130133529) is 4-hydroxy-7-methoxy-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-2-one.
What is the SMILES notation for 4-hydroxy-7-methoxy-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-2-one?
The canonical SMILES for 4-hydroxy-7-methoxy-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-2-one is COC1CCC2C(O)CC(=O)NC2C1.
What is the InChIKey of 4-hydroxy-7-methoxy-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-2-one?
The InChIKey is HNWPIVLJHHVJNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-14-6-2-3-7-8(4-6)11-10(13)5-9(7)12/h6-9,12H,2-5H2,1H3,(H,11,13).
What are the key properties of 4-hydroxy-7-methoxy-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-2-one?
4-hydroxy-7-methoxy-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-2-one has a molecular weight of 199.25 g/mol, XLogP of 0.05, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-7-methoxy-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-2-one is sourced from PubChem (CID 130133529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).