1-(3-amino-4-hydroxybutyl)pyridin-2-one

C9H14N2O2 — CID 82907436

IUPAC1-(3-amino-4-hydroxybutyl)pyridin-2-one
SMILESNC(CO)CCn1ccccc1=O
InChIInChI=1S/C9H14N2O2/c10-8(7-12)4-6-11-5-2-1-3-9(11)13/h1-3,5,8,12H,4,6-7,10H2
InChIKeyZWZYFHGDUGTPKP-UHFFFAOYSA-N
MW182.22 g/mol
LogP-0.44
Rot. Bonds4

About 1-(3-amino-4-hydroxybutyl)pyridin-2-one

1-(3-amino-4-hydroxybutyl)pyridin-2-one (PubChem CID 82907436) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 1-(3-amino-4-hydroxybutyl)pyridin-2-one.

Molecular Properties

Compound Name1-(3-amino-4-hydroxybutyl)pyridin-2-one
PubChem CID82907436
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name1-(3-amino-4-hydroxybutyl)pyridin-2-one
SMILESNC(CO)CCn1ccccc1=O
InChIInChI=1S/C9H14N2O2/c10-8(7-12)4-6-11-5-2-1-3-9(11)13/h1-3,5,8,12H,4,6-7,10H2
InChIKeyZWZYFHGDUGTPKP-UHFFFAOYSA-N
XLogP-0.44
TPSA68.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-4-hydroxybutyl)pyridin-2-one?
The IUPAC name of 1-(3-amino-4-hydroxybutyl)pyridin-2-one (CID 82907436) is 1-(3-amino-4-hydroxybutyl)pyridin-2-one.
What is the SMILES notation for 1-(3-amino-4-hydroxybutyl)pyridin-2-one?
The canonical SMILES for 1-(3-amino-4-hydroxybutyl)pyridin-2-one is NC(CO)CCn1ccccc1=O.
What is the InChIKey of 1-(3-amino-4-hydroxybutyl)pyridin-2-one?
The InChIKey is ZWZYFHGDUGTPKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c10-8(7-12)4-6-11-5-2-1-3-9(11)13/h1-3,5,8,12H,4,6-7,10H2.
What are the key properties of 1-(3-amino-4-hydroxybutyl)pyridin-2-one?
1-(3-amino-4-hydroxybutyl)pyridin-2-one has a molecular weight of 182.22 g/mol, XLogP of -0.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-4-hydroxybutyl)pyridin-2-one is sourced from PubChem (CID 82907436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).