butyl 2-(4-oxo-1-pyridinyl)acetate

C11H15NO3 — CID 62881356

IUPACbutyl 2-(4-oxo-1-pyridinyl)acetate
SMILESCCCCOC(=O)Cn1ccc(=O)cc1
InChIInChI=1S/C11H15NO3/c1-2-3-8-15-11(14)9-12-6-4-10(13)5-7-12/h4-7H,2-3,8-9H2,1H3
InChIKeyCRECMLJMJFRSCY-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.19
Rot. Bonds5

About butyl 2-(4-oxo-1-pyridinyl)acetate

butyl 2-(4-oxo-1-pyridinyl)acetate (PubChem CID 62881356) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is butyl 2-(4-oxo-1-pyridinyl)acetate.

Molecular Properties

Compound Namebutyl 2-(4-oxo-1-pyridinyl)acetate
PubChem CID62881356
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC Namebutyl 2-(4-oxo-1-pyridinyl)acetate
SMILESCCCCOC(=O)Cn1ccc(=O)cc1
InChIInChI=1S/C11H15NO3/c1-2-3-8-15-11(14)9-12-6-4-10(13)5-7-12/h4-7H,2-3,8-9H2,1H3
InChIKeyCRECMLJMJFRSCY-UHFFFAOYSA-N
XLogP1.19
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Propyliodone
CID 4949
Ethyl 2-fluoro-2-(4-oxo-1-pyridinyl)acetate
CID 81297157
ethyl 2-(4-oxopyridin-1(4H)-yl)acetate
CID 12254000
Methyl 2-(4-oxo-1-pyridinyl)acetate
CID 15080691
2-(3-Butoxy-4-oxo-1-pyridinyl)acetic acid
CID 21320058
ethyl 2-(4H-pyridin-1-yl)acetate
CID 58230626
Propan-2-yl 2-(4-oxo-1-pyridinyl)acetate
CID 62881182
ethyl (Z)-3-(dimethylamino)-2-(4-oxo-1-pyridinyl)prop-2-enoate
CID 117600789
ethyl 3-(dimethylamino)-2-(4-oxopyridin-1(4H)-yl)acrylate
CID 131732877
[(2R)-3,3-dimethylbutan-2-yl] 2-(4-oxo-1-pyridinyl)acetate
CID 132042545
[(1S)-1-iodoethyl] 2-(4-oxo-1-pyridinyl)acetate
CID 132050756
Ethyl 2-(4-oxo-1-pyridinyl)prop-2-enoate
CID 141433288

Frequently Asked Questions

What is the IUPAC name of butyl 2-(4-oxo-1-pyridinyl)acetate?
The IUPAC name of butyl 2-(4-oxo-1-pyridinyl)acetate (CID 62881356) is butyl 2-(4-oxo-1-pyridinyl)acetate.
What is the SMILES notation for butyl 2-(4-oxo-1-pyridinyl)acetate?
The canonical SMILES for butyl 2-(4-oxo-1-pyridinyl)acetate is CCCCOC(=O)Cn1ccc(=O)cc1.
What is the InChIKey of butyl 2-(4-oxo-1-pyridinyl)acetate?
The InChIKey is CRECMLJMJFRSCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-2-3-8-15-11(14)9-12-6-4-10(13)5-7-12/h4-7H,2-3,8-9H2,1H3.
What are the key properties of butyl 2-(4-oxo-1-pyridinyl)acetate?
butyl 2-(4-oxo-1-pyridinyl)acetate has a molecular weight of 209.25 g/mol, XLogP of 1.19, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-(4-oxo-1-pyridinyl)acetate is sourced from PubChem (CID 62881356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).