4-butoxy-1H-pyridin-2-one

C9H13NO2 — CID 58896757

IUPAC4-butoxy-1H-pyridin-2-one
SMILESCCCCOc1cc[nH]c(=O)c1
InChIInChI=1S/C9H13NO2/c1-2-3-6-12-8-4-5-10-9(11)7-8/h4-5,7H,2-3,6H2,1H3,(H,10,11)
InChIKeyOREBKAOLNAPATE-UHFFFAOYSA-N
MW167.21 g/mol
LogP1.55
Rot. Bonds4

About 4-butoxy-1H-pyridin-2-one

4-butoxy-1H-pyridin-2-one (PubChem CID 58896757) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is 4-butoxy-1H-pyridin-2-one.

Molecular Properties

Compound Name4-butoxy-1H-pyridin-2-one
PubChem CID58896757
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name4-butoxy-1H-pyridin-2-one
SMILESCCCCOc1cc[nH]c(=O)c1
InChIInChI=1S/C9H13NO2/c1-2-3-6-12-8-4-5-10-9(11)7-8/h4-5,7H,2-3,6H2,1H3,(H,10,11)
InChIKeyOREBKAOLNAPATE-UHFFFAOYSA-N
XLogP1.55
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(2-butoxyethyl)-1H-pyridin-2-one
CID 89218286
5-heptoxy-1H-indole
CID 80642434
6-butoxy-1,2-dihydroindazol-3-one
CID 70661188
1,3,5-tributoxybenzene
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ethane;7-pentoxy-1H-quinolin-2-one
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1,4-dipentoxybenzene
CID 18314717
2-butoxy-7-hexoxyfluoren-9-one
CID 6425371
4-[(3-methyl-2-pyridinyl)methoxy]-1H-pyridin-2-one
CID 152538105
CID 57451037
CID 57451037
3,6,9,10-tetrabutoxyphenanthrene
CID 58825721
5-butoxy-2H-benzotriazole
CID 14093895
1,4-di(pentacontoxy)benzene
CID 88721659

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-1H-pyridin-2-one?
The IUPAC name of 4-butoxy-1H-pyridin-2-one (CID 58896757) is 4-butoxy-1H-pyridin-2-one.
What is the SMILES notation for 4-butoxy-1H-pyridin-2-one?
The canonical SMILES for 4-butoxy-1H-pyridin-2-one is CCCCOc1cc[nH]c(=O)c1.
What is the InChIKey of 4-butoxy-1H-pyridin-2-one?
The InChIKey is OREBKAOLNAPATE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-2-3-6-12-8-4-5-10-9(11)7-8/h4-5,7H,2-3,6H2,1H3,(H,10,11).
What are the key properties of 4-butoxy-1H-pyridin-2-one?
4-butoxy-1H-pyridin-2-one has a molecular weight of 167.21 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-1H-pyridin-2-one is sourced from PubChem (CID 58896757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).