4-(3-hydroxypropyl)-1H-pyridin-2-one

C8H11NO2 — CID 119082202

IUPAC4-(3-hydroxypropyl)-1H-pyridin-2-one
SMILESO=c1cc(CCCO)cc[nH]1
InChIInChI=1S/C8H11NO2/c10-5-1-2-7-3-4-9-8(11)6-7/h3-4,6,10H,1-2,5H2,(H,9,11)
InChIKeyORHNXBHLCXDCFQ-UHFFFAOYSA-N
MW153.18 g/mol
LogP0.30
Rot. Bonds3

About 4-(3-hydroxypropyl)-1H-pyridin-2-one

4-(3-hydroxypropyl)-1H-pyridin-2-one (PubChem CID 119082202) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is 4-(3-hydroxypropyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(3-hydroxypropyl)-1H-pyridin-2-one
PubChem CID119082202
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name4-(3-hydroxypropyl)-1H-pyridin-2-one
SMILESO=c1cc(CCCO)cc[nH]1
InChIInChI=1S/C8H11NO2/c10-5-1-2-7-3-4-9-8(11)6-7/h3-4,6,10H,1-2,5H2,(H,9,11)
InChIKeyORHNXBHLCXDCFQ-UHFFFAOYSA-N
XLogP0.30
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-4-(3-hydroxypropyl)-1H-pyridin-2-one
CID 172299059
3-(difluoromethyl)-4-(3-hydroxypropyl)-1H-pyridin-2-one
CID 172299398
1-(Difluoromethyl)-4-(3-hydroxypropyl)pyridin-2-one
CID 172299585
5-fluoro-4-(3-hydroxypropyl)-1H-pyridin-2-one
CID 172299820
5-(2-hydroxyethyl)-4-(trifluoromethyl)-1H-pyridin-2-one
CID 176690579
7-[(E)-6-hydroxyhept-1-enyl]-2H-isoquinolin-3-one
CID 19352590
7-(6-hydroxyhept-1-enyl)-2H-isoquinolin-3-one
CID 54339447
2(1H)-Pyridinone, 4-hydroxy-5-propyl-
CID 54718387
5-(2-Hydroxyethyl)pyridin-2(1H)-one
CID 55300535
4-(4-Hydroxybutyl)-1-methylpyridin-2-one
CID 69191130
5-[(1R)-1-amino-2-hydroxyethyl]-1H-pyridin-2-one
CID 89393232
3-(2-Oxo-1,2-dihydropyridin-4-yl)propanoic acid
CID 105433303

Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxypropyl)-1H-pyridin-2-one?
The IUPAC name of 4-(3-hydroxypropyl)-1H-pyridin-2-one (CID 119082202) is 4-(3-hydroxypropyl)-1H-pyridin-2-one.
What is the SMILES notation for 4-(3-hydroxypropyl)-1H-pyridin-2-one?
The canonical SMILES for 4-(3-hydroxypropyl)-1H-pyridin-2-one is O=c1cc(CCCO)cc[nH]1.
What is the InChIKey of 4-(3-hydroxypropyl)-1H-pyridin-2-one?
The InChIKey is ORHNXBHLCXDCFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c10-5-1-2-7-3-4-9-8(11)6-7/h3-4,6,10H,1-2,5H2,(H,9,11).
What are the key properties of 4-(3-hydroxypropyl)-1H-pyridin-2-one?
4-(3-hydroxypropyl)-1H-pyridin-2-one has a molecular weight of 153.18 g/mol, XLogP of 0.30, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxypropyl)-1H-pyridin-2-one is sourced from PubChem (CID 119082202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).