1-(3-hydroxypentyl)pyridin-2-one

C10H15NO2 — CID 67894979

IUPAC1-(3-hydroxypentyl)pyridin-2-one
SMILESCCC(O)CCn1ccccc1=O
InChIInChI=1S/C10H15NO2/c1-2-9(12)6-8-11-7-4-3-5-10(11)13/h3-5,7,9,12H,2,6,8H2,1H3
InChIKeyPKBBHGGPMQIDKI-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.01
Rot. Bonds4

About 1-(3-hydroxypentyl)pyridin-2-one

1-(3-hydroxypentyl)pyridin-2-one (PubChem CID 67894979) has the molecular formula C10H15NO2 and a molecular weight of 181.24 g/mol. Its IUPAC name is 1-(3-hydroxypentyl)pyridin-2-one.

Molecular Properties

Compound Name1-(3-hydroxypentyl)pyridin-2-one
PubChem CID67894979
Molecular FormulaC10H15NO2
Molecular Weight181.24 g/mol
Exact Mass181.11
IUPAC Name1-(3-hydroxypentyl)pyridin-2-one
SMILESCCC(O)CCn1ccccc1=O
InChIInChI=1S/C10H15NO2/c1-2-9(12)6-8-11-7-4-3-5-10(11)13/h3-5,7,9,12H,2,6,8H2,1H3
InChIKeyPKBBHGGPMQIDKI-UHFFFAOYSA-N
XLogP1.01
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxypentyl)pyridin-2-one?
The IUPAC name of 1-(3-hydroxypentyl)pyridin-2-one (CID 67894979) is 1-(3-hydroxypentyl)pyridin-2-one.
What is the SMILES notation for 1-(3-hydroxypentyl)pyridin-2-one?
The canonical SMILES for 1-(3-hydroxypentyl)pyridin-2-one is CCC(O)CCn1ccccc1=O.
What is the InChIKey of 1-(3-hydroxypentyl)pyridin-2-one?
The InChIKey is PKBBHGGPMQIDKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-2-9(12)6-8-11-7-4-3-5-10(11)13/h3-5,7,9,12H,2,6,8H2,1H3.
What are the key properties of 1-(3-hydroxypentyl)pyridin-2-one?
1-(3-hydroxypentyl)pyridin-2-one has a molecular weight of 181.24 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxypentyl)pyridin-2-one is sourced from PubChem (CID 67894979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).