1-tert-butyl-4-propan-2-yl-2,6-dihydropyridin-3-one

C12H21NO — CID 899664

IUPAC1-tert-butyl-4-propan-2-yl-2,6-dihydropyridin-3-one
SMILESCC(C)C1=CCN(C(C)(C)C)CC1=O
InChIInChI=1S/C12H21NO/c1-9(2)10-6-7-13(8-11(10)14)12(3,4)5/h6,9H,7-8H2,1-5H3
InChIKeyPPZAZMNMRAMIPD-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.25
Rot. Bonds1

About 1-tert-butyl-4-propan-2-yl-2,6-dihydropyridin-3-one

1-tert-butyl-4-propan-2-yl-2,6-dihydropyridin-3-one (PubChem CID 899664) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 1-tert-butyl-4-propan-2-yl-2,6-dihydropyridin-3-one.

Molecular Properties

Compound Name1-tert-butyl-4-propan-2-yl-2,6-dihydropyridin-3-one
PubChem CID899664
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name1-tert-butyl-4-propan-2-yl-2,6-dihydropyridin-3-one
SMILESCC(C)C1=CCN(C(C)(C)C)CC1=O
InChIInChI=1S/C12H21NO/c1-9(2)10-6-7-13(8-11(10)14)12(3,4)5/h6,9H,7-8H2,1-5H3
InChIKeyPPZAZMNMRAMIPD-UHFFFAOYSA-N
XLogP2.25
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-propan-2-yl-2,6-dihydropyridin-3-one?
The IUPAC name of 1-tert-butyl-4-propan-2-yl-2,6-dihydropyridin-3-one (CID 899664) is 1-tert-butyl-4-propan-2-yl-2,6-dihydropyridin-3-one.
What is the SMILES notation for 1-tert-butyl-4-propan-2-yl-2,6-dihydropyridin-3-one?
The canonical SMILES for 1-tert-butyl-4-propan-2-yl-2,6-dihydropyridin-3-one is CC(C)C1=CCN(C(C)(C)C)CC1=O.
What is the InChIKey of 1-tert-butyl-4-propan-2-yl-2,6-dihydropyridin-3-one?
The InChIKey is PPZAZMNMRAMIPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-9(2)10-6-7-13(8-11(10)14)12(3,4)5/h6,9H,7-8H2,1-5H3.
What are the key properties of 1-tert-butyl-4-propan-2-yl-2,6-dihydropyridin-3-one?
1-tert-butyl-4-propan-2-yl-2,6-dihydropyridin-3-one has a molecular weight of 195.31 g/mol, XLogP of 2.25, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-propan-2-yl-2,6-dihydropyridin-3-one is sourced from PubChem (CID 899664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).