1-methyl-3,4-di(propan-2-yl)-3,4-dihydropyridin-2-one

C12H21NO — CID 172537727

IUPAC1-methyl-3,4-di(propan-2-yl)-3,4-dihydropyridin-2-one
SMILESCC(C)C1C=CN(C)C(=O)C1C(C)C
InChIInChI=1S/C12H21NO/c1-8(2)10-6-7-13(5)12(14)11(10)9(3)4/h6-11H,1-5H3
InChIKeyGSNPDPWOKGMZQZ-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.52
Rot. Bonds2

About 1-methyl-3,4-di(propan-2-yl)-3,4-dihydropyridin-2-one

1-methyl-3,4-di(propan-2-yl)-3,4-dihydropyridin-2-one (PubChem CID 172537727) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 1-methyl-3,4-di(propan-2-yl)-3,4-dihydropyridin-2-one.

Molecular Properties

Compound Name1-methyl-3,4-di(propan-2-yl)-3,4-dihydropyridin-2-one
PubChem CID172537727
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name1-methyl-3,4-di(propan-2-yl)-3,4-dihydropyridin-2-one
SMILESCC(C)C1C=CN(C)C(=O)C1C(C)C
InChIInChI=1S/C12H21NO/c1-8(2)10-6-7-13(5)12(14)11(10)9(3)4/h6-11H,1-5H3
InChIKeyGSNPDPWOKGMZQZ-UHFFFAOYSA-N
XLogP2.52
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3,4-di(propan-2-yl)-3,4-dihydropyridin-2-one?
The IUPAC name of 1-methyl-3,4-di(propan-2-yl)-3,4-dihydropyridin-2-one (CID 172537727) is 1-methyl-3,4-di(propan-2-yl)-3,4-dihydropyridin-2-one.
What is the SMILES notation for 1-methyl-3,4-di(propan-2-yl)-3,4-dihydropyridin-2-one?
The canonical SMILES for 1-methyl-3,4-di(propan-2-yl)-3,4-dihydropyridin-2-one is CC(C)C1C=CN(C)C(=O)C1C(C)C.
What is the InChIKey of 1-methyl-3,4-di(propan-2-yl)-3,4-dihydropyridin-2-one?
The InChIKey is GSNPDPWOKGMZQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-8(2)10-6-7-13(5)12(14)11(10)9(3)4/h6-11H,1-5H3.
What are the key properties of 1-methyl-3,4-di(propan-2-yl)-3,4-dihydropyridin-2-one?
1-methyl-3,4-di(propan-2-yl)-3,4-dihydropyridin-2-one has a molecular weight of 195.31 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3,4-di(propan-2-yl)-3,4-dihydropyridin-2-one is sourced from PubChem (CID 172537727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).