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

C7H11NO — CID 174857955

IUPAC2,2-dimethyl-3,4-dihydropyridin-5-one
SMILESCC1(C)CCC(=O)C=N1
InChIInChI=1S/C7H11NO/c1-7(2)4-3-6(9)5-8-7/h5H,3-4H2,1-2H3
InChIKeyJFSVGJPVVCDLQA-UHFFFAOYSA-N
MW125.17 g/mol
LogP1.20
Rot. Bonds

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

2,2-dimethyl-3,4-dihydropyridin-5-one (PubChem CID 174857955) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 2,2-dimethyl-3,4-dihydropyridin-5-one.

Molecular Properties

Compound Name2,2-dimethyl-3,4-dihydropyridin-5-one
PubChem CID174857955
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name2,2-dimethyl-3,4-dihydropyridin-5-one
SMILESCC1(C)CCC(=O)C=N1
InChIInChI=1S/C7H11NO/c1-7(2)4-3-6(9)5-8-7/h5H,3-4H2,1-2H3
InChIKeyJFSVGJPVVCDLQA-UHFFFAOYSA-N
XLogP1.20
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 ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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4,4-dimethoxycyclohex-2-en-1-one
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4-methyl-4-propan-2-ylcyclohex-2-en-1-one
CID 71303376
(4aS)-4a-methyl-3,4,5,6,7,8-hexahydronaphthalen-2-one
CID 7000123
(4aR)-4a-methyl-3,4,5,6-tetrahydronaphthalen-2-one
CID 14143533
4a,8,8-trimethyl-4,5,6,7-tetrahydro-3H-naphthalen-2-one
CID 4196639
5-methyl-2,3,6,7-tetrahydro-1,5-diazonine-4,8-dione
CID 20648223
4,4-difluoro-3-methylcyclohex-2-en-1-one
CID 170721056

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3,4-dihydropyridin-5-one?
The IUPAC name of 2,2-dimethyl-3,4-dihydropyridin-5-one (CID 174857955) is 2,2-dimethyl-3,4-dihydropyridin-5-one.
What is the SMILES notation for 2,2-dimethyl-3,4-dihydropyridin-5-one?
The canonical SMILES for 2,2-dimethyl-3,4-dihydropyridin-5-one is CC1(C)CCC(=O)C=N1.
What is the InChIKey of 2,2-dimethyl-3,4-dihydropyridin-5-one?
The InChIKey is JFSVGJPVVCDLQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c1-7(2)4-3-6(9)5-8-7/h5H,3-4H2,1-2H3.
What are the key properties of 2,2-dimethyl-3,4-dihydropyridin-5-one?
2,2-dimethyl-3,4-dihydropyridin-5-one has a molecular weight of 125.17 g/mol, XLogP of 1.20, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3,4-dihydropyridin-5-one is sourced from PubChem (CID 174857955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).