1-phenyl-2-propan-2-yl-2,3-dihydropyridin-4-one

C14H17NO — CID 11106752

IUPAC1-phenyl-2-propan-2-yl-2,3-dihydropyridin-4-one
SMILESCC(C)C1CC(=O)C=CN1c1ccccc1
InChIInChI=1S/C14H17NO/c1-11(2)14-10-13(16)8-9-15(14)12-6-4-3-5-7-12/h3-9,11,14H,10H2,1-2H3
InChIKeyWLNYBQDFSHRIOG-UHFFFAOYSA-N
MW215.30 g/mol
LogP3.00
Rot. Bonds2

About 1-phenyl-2-propan-2-yl-2,3-dihydropyridin-4-one

1-phenyl-2-propan-2-yl-2,3-dihydropyridin-4-one (PubChem CID 11106752) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 1-phenyl-2-propan-2-yl-2,3-dihydropyridin-4-one.

Molecular Properties

Compound Name1-phenyl-2-propan-2-yl-2,3-dihydropyridin-4-one
PubChem CID11106752
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name1-phenyl-2-propan-2-yl-2,3-dihydropyridin-4-one
SMILESCC(C)C1CC(=O)C=CN1c1ccccc1
InChIInChI=1S/C14H17NO/c1-11(2)14-10-13(16)8-9-15(14)12-6-4-3-5-7-12/h3-9,11,14H,10H2,1-2H3
InChIKeyWLNYBQDFSHRIOG-UHFFFAOYSA-N
XLogP3.00
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-propan-2-yl-2,3-dihydropyridin-4-one?
The IUPAC name of 1-phenyl-2-propan-2-yl-2,3-dihydropyridin-4-one (CID 11106752) is 1-phenyl-2-propan-2-yl-2,3-dihydropyridin-4-one.
What is the SMILES notation for 1-phenyl-2-propan-2-yl-2,3-dihydropyridin-4-one?
The canonical SMILES for 1-phenyl-2-propan-2-yl-2,3-dihydropyridin-4-one is CC(C)C1CC(=O)C=CN1c1ccccc1.
What is the InChIKey of 1-phenyl-2-propan-2-yl-2,3-dihydropyridin-4-one?
The InChIKey is WLNYBQDFSHRIOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-11(2)14-10-13(16)8-9-15(14)12-6-4-3-5-7-12/h3-9,11,14H,10H2,1-2H3.
What are the key properties of 1-phenyl-2-propan-2-yl-2,3-dihydropyridin-4-one?
1-phenyl-2-propan-2-yl-2,3-dihydropyridin-4-one has a molecular weight of 215.30 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-propan-2-yl-2,3-dihydropyridin-4-one is sourced from PubChem (CID 11106752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).