3,3-dimethyl-2,5-dihydropyridin-4-one

C7H11NO — CID 158507308

IUPAC3,3-dimethyl-2,5-dihydropyridin-4-one
SMILESCC1(C)CN=CCC1=O
InChIInChI=1S/C7H11NO/c1-7(2)5-8-4-3-6(7)9/h4H,3,5H2,1-2H3
InChIKeyHKPQSMAERSJCDQ-UHFFFAOYSA-N
MW125.17 g/mol
LogP1.06
Rot. Bonds

About 3,3-dimethyl-2,5-dihydropyridin-4-one

3,3-dimethyl-2,5-dihydropyridin-4-one (PubChem CID 158507308) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 3,3-dimethyl-2,5-dihydropyridin-4-one.

Molecular Properties

Compound Name3,3-dimethyl-2,5-dihydropyridin-4-one
PubChem CID158507308
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name3,3-dimethyl-2,5-dihydropyridin-4-one
SMILESCC1(C)CN=CCC1=O
InChIInChI=1S/C7H11NO/c1-7(2)5-8-4-3-6(7)9/h4H,3,5H2,1-2H3
InChIKeyHKPQSMAERSJCDQ-UHFFFAOYSA-N
XLogP1.06
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2,5-dihydropyridin-4-one?
The IUPAC name of 3,3-dimethyl-2,5-dihydropyridin-4-one (CID 158507308) is 3,3-dimethyl-2,5-dihydropyridin-4-one.
What is the SMILES notation for 3,3-dimethyl-2,5-dihydropyridin-4-one?
The canonical SMILES for 3,3-dimethyl-2,5-dihydropyridin-4-one is CC1(C)CN=CCC1=O.
What is the InChIKey of 3,3-dimethyl-2,5-dihydropyridin-4-one?
The InChIKey is HKPQSMAERSJCDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c1-7(2)5-8-4-3-6(7)9/h4H,3,5H2,1-2H3.
What are the key properties of 3,3-dimethyl-2,5-dihydropyridin-4-one?
3,3-dimethyl-2,5-dihydropyridin-4-one has a molecular weight of 125.17 g/mol, XLogP of 1.06, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2,5-dihydropyridin-4-one is sourced from PubChem (CID 158507308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).