(4-methyl-6-oxo-2,3-dihydro-1H-pyridin-5-yl) butanoate

C10H15NO3 — CID 174518131

IUPAC(4-methyl-6-oxo-2,3-dihydro-1H-pyridin-5-yl) butanoate
SMILESCCCC(=O)OC1=C(C)CCNC1=O
InChIInChI=1S/C10H15NO3/c1-3-4-8(12)14-9-7(2)5-6-11-10(9)13/h3-6H2,1-2H3,(H,11,13)
InChIKeyFZKDPNDKBBRVMP-UHFFFAOYSA-N
MW197.23 g/mol
LogP1.12
Rot. Bonds3

About (4-methyl-6-oxo-2,3-dihydro-1H-pyridin-5-yl) butanoate

(4-methyl-6-oxo-2,3-dihydro-1H-pyridin-5-yl) butanoate (PubChem CID 174518131) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is (4-methyl-6-oxo-2,3-dihydro-1H-pyridin-5-yl) butanoate.

Molecular Properties

Compound Name(4-methyl-6-oxo-2,3-dihydro-1H-pyridin-5-yl) butanoate
PubChem CID174518131
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name(4-methyl-6-oxo-2,3-dihydro-1H-pyridin-5-yl) butanoate
SMILESCCCC(=O)OC1=C(C)CCNC1=O
InChIInChI=1S/C10H15NO3/c1-3-4-8(12)14-9-7(2)5-6-11-10(9)13/h3-6H2,1-2H3,(H,11,13)
InChIKeyFZKDPNDKBBRVMP-UHFFFAOYSA-N
XLogP1.12
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-methyl-6-oxo-2,3-dihydro-1H-pyridin-5-yl) butanoate?
The IUPAC name of (4-methyl-6-oxo-2,3-dihydro-1H-pyridin-5-yl) butanoate (CID 174518131) is (4-methyl-6-oxo-2,3-dihydro-1H-pyridin-5-yl) butanoate.
What is the SMILES notation for (4-methyl-6-oxo-2,3-dihydro-1H-pyridin-5-yl) butanoate?
The canonical SMILES for (4-methyl-6-oxo-2,3-dihydro-1H-pyridin-5-yl) butanoate is CCCC(=O)OC1=C(C)CCNC1=O.
What is the InChIKey of (4-methyl-6-oxo-2,3-dihydro-1H-pyridin-5-yl) butanoate?
The InChIKey is FZKDPNDKBBRVMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-3-4-8(12)14-9-7(2)5-6-11-10(9)13/h3-6H2,1-2H3,(H,11,13).
What are the key properties of (4-methyl-6-oxo-2,3-dihydro-1H-pyridin-5-yl) butanoate?
(4-methyl-6-oxo-2,3-dihydro-1H-pyridin-5-yl) butanoate has a molecular weight of 197.23 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-6-oxo-2,3-dihydro-1H-pyridin-5-yl) butanoate is sourced from PubChem (CID 174518131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).