4-hydroxy-4a,8a-dihydro-1H-quinolin-2-one

C9H9NO2 — CID 142207957

IUPAC4-hydroxy-4a,8a-dihydro-1H-quinolin-2-one
SMILESO=C1C=C(O)C2C=CC=CC2N1
InChIInChI=1S/C9H9NO2/c11-8-5-9(12)10-7-4-2-1-3-6(7)8/h1-7,11H,(H,10,12)
InChIKeySMWGQELEXODQOJ-UHFFFAOYSA-N
MW163.18 g/mol
LogP0.67
Rot. Bonds

About 4-hydroxy-4a,8a-dihydro-1H-quinolin-2-one

4-hydroxy-4a,8a-dihydro-1H-quinolin-2-one (PubChem CID 142207957) has the molecular formula C9H9NO2 and a molecular weight of 163.18 g/mol. Its IUPAC name is 4-hydroxy-4a,8a-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name4-hydroxy-4a,8a-dihydro-1H-quinolin-2-one
PubChem CID142207957
Molecular FormulaC9H9NO2
Molecular Weight163.18 g/mol
Exact Mass163.06
IUPAC Name4-hydroxy-4a,8a-dihydro-1H-quinolin-2-one
SMILESO=C1C=C(O)C2C=CC=CC2N1
InChIInChI=1S/C9H9NO2/c11-8-5-9(12)10-7-4-2-1-3-6(7)8/h1-7,11H,(H,10,12)
InChIKeySMWGQELEXODQOJ-UHFFFAOYSA-N
XLogP0.67
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4a,8a-dihydro-1H-quinolin-2-one
CID 21847965
2-Hydroxy-4-azatricyclo[9.4.0.03,8]pentadeca-1,6,8,10,12,14-hexaen-5-one
CID 57165080
4-hydroxy-3-methyl-6-(trioxidanylsulfanyl)-4a,8a-dihydro-1H-quinolin-2-one
CID 57573628
4-hydroxy-2,3-dimethyl-2,3-dihydro-1H-pyridin-6-one
CID 59936977
4-hydroxy-2-propan-2-yl-2,3-dihydro-1H-pyridin-6-one
CID 137433281
N-(4-acetyl-5-hydroxycyclohexa-2,4-dien-1-yl)acetamide
CID 141931044
4-hydroxy-6-methyl-4a,8a-dihydro-1H-quinolin-2-one
CID 143863556
(6-ethenyl-2-oxo-4a,8a-dihydro-1H-quinolin-4-yl)oxidanium
CID 143863591
(4aR)-4-hydroxy-4a,5-dihydro-1H-quinolin-2-one
CID 155108049
8-hydroxy-4a,8a-dihydro-1H-quinolin-2-one
CID 10953852
6-ethenyl-4-hydroxy-4a,8a-dihydro-1H-quinolin-2-one
CID 143863592
6-tert-butyl-4-hydroxy-4a,8a-dihydro-1H-quinolin-2-one
CID 148352631

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-4a,8a-dihydro-1H-quinolin-2-one?
The IUPAC name of 4-hydroxy-4a,8a-dihydro-1H-quinolin-2-one (CID 142207957) is 4-hydroxy-4a,8a-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 4-hydroxy-4a,8a-dihydro-1H-quinolin-2-one?
The canonical SMILES for 4-hydroxy-4a,8a-dihydro-1H-quinolin-2-one is O=C1C=C(O)C2C=CC=CC2N1.
What is the InChIKey of 4-hydroxy-4a,8a-dihydro-1H-quinolin-2-one?
The InChIKey is SMWGQELEXODQOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO2/c11-8-5-9(12)10-7-4-2-1-3-6(7)8/h1-7,11H,(H,10,12).
What are the key properties of 4-hydroxy-4a,8a-dihydro-1H-quinolin-2-one?
4-hydroxy-4a,8a-dihydro-1H-quinolin-2-one has a molecular weight of 163.18 g/mol, XLogP of 0.67, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-4a,8a-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 142207957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).