5-methoxy-4-propanoyl-2,3-dihydro-1H-pyridin-6-one

C9H13NO3 — CID 57266371

IUPAC5-methoxy-4-propanoyl-2,3-dihydro-1H-pyridin-6-one
SMILESCCC(=O)C1=C(OC)C(=O)NCC1
InChIInChI=1S/C9H13NO3/c1-3-7(11)6-4-5-10-9(12)8(6)13-2/h3-5H2,1-2H3,(H,10,12)
InChIKeyAPHIPBNKHSJIRM-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.39
Rot. Bonds3

About 5-methoxy-4-propanoyl-2,3-dihydro-1H-pyridin-6-one

5-methoxy-4-propanoyl-2,3-dihydro-1H-pyridin-6-one (PubChem CID 57266371) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is 5-methoxy-4-propanoyl-2,3-dihydro-1H-pyridin-6-one.

Molecular Properties

Compound Name5-methoxy-4-propanoyl-2,3-dihydro-1H-pyridin-6-one
PubChem CID57266371
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Name5-methoxy-4-propanoyl-2,3-dihydro-1H-pyridin-6-one
SMILESCCC(=O)C1=C(OC)C(=O)NCC1
InChIInChI=1S/C9H13NO3/c1-3-7(11)6-4-5-10-9(12)8(6)13-2/h3-5H2,1-2H3,(H,10,12)
InChIKeyAPHIPBNKHSJIRM-UHFFFAOYSA-N
XLogP0.39
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-propanoyl-2,3-dihydro-1H-pyridin-6-one?
The IUPAC name of 5-methoxy-4-propanoyl-2,3-dihydro-1H-pyridin-6-one (CID 57266371) is 5-methoxy-4-propanoyl-2,3-dihydro-1H-pyridin-6-one.
What is the SMILES notation for 5-methoxy-4-propanoyl-2,3-dihydro-1H-pyridin-6-one?
The canonical SMILES for 5-methoxy-4-propanoyl-2,3-dihydro-1H-pyridin-6-one is CCC(=O)C1=C(OC)C(=O)NCC1.
What is the InChIKey of 5-methoxy-4-propanoyl-2,3-dihydro-1H-pyridin-6-one?
The InChIKey is APHIPBNKHSJIRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3/c1-3-7(11)6-4-5-10-9(12)8(6)13-2/h3-5H2,1-2H3,(H,10,12).
What are the key properties of 5-methoxy-4-propanoyl-2,3-dihydro-1H-pyridin-6-one?
5-methoxy-4-propanoyl-2,3-dihydro-1H-pyridin-6-one has a molecular weight of 183.21 g/mol, XLogP of 0.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-propanoyl-2,3-dihydro-1H-pyridin-6-one is sourced from PubChem (CID 57266371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).