1-(2,3-dihydropyridin-3-yl)-2,2-dimethylpropan-1-one

C10H15NO — CID 147324643

IUPAC1-(2,3-dihydropyridin-3-yl)-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)C1C=CC=NC1
InChIInChI=1S/C10H15NO/c1-10(2,3)9(12)8-5-4-6-11-7-8/h4-6,8H,7H2,1-3H3
InChIKeyDALYOEBUYJTOPW-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.86
Rot. Bonds1

About 1-(2,3-dihydropyridin-3-yl)-2,2-dimethylpropan-1-one

1-(2,3-dihydropyridin-3-yl)-2,2-dimethylpropan-1-one (PubChem CID 147324643) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 1-(2,3-dihydropyridin-3-yl)-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-(2,3-dihydropyridin-3-yl)-2,2-dimethylpropan-1-one
PubChem CID147324643
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name1-(2,3-dihydropyridin-3-yl)-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)C1C=CC=NC1
InChIInChI=1S/C10H15NO/c1-10(2,3)9(12)8-5-4-6-11-7-8/h4-6,8H,7H2,1-3H3
InChIKeyDALYOEBUYJTOPW-UHFFFAOYSA-N
XLogP1.86
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-Dihydropyridin-3-yl)ethanone
CID 57313014
(E)-5-(2,3-dihydropyridin-3-yl)pent-4-en-2-one
CID 91524353
(Z)-3-methyl-3-[(Z)-3-methyliminoprop-1-enyl]hept-4-en-2-one
CID 156741442
(3S)-4-[(3S)-2,3-dihydropyridin-3-yl]-3-methylbutan-2-one
CID 169563059
1-(3-methyl-2H-pyridin-3-yl)ethanone
CID 142151840
2,2-dimethyl-1-(2H-pyrrol-3-yl)propan-1-one
CID 158792993

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydropyridin-3-yl)-2,2-dimethylpropan-1-one?
The IUPAC name of 1-(2,3-dihydropyridin-3-yl)-2,2-dimethylpropan-1-one (CID 147324643) is 1-(2,3-dihydropyridin-3-yl)-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-(2,3-dihydropyridin-3-yl)-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-(2,3-dihydropyridin-3-yl)-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)C1C=CC=NC1.
What is the InChIKey of 1-(2,3-dihydropyridin-3-yl)-2,2-dimethylpropan-1-one?
The InChIKey is DALYOEBUYJTOPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-10(2,3)9(12)8-5-4-6-11-7-8/h4-6,8H,7H2,1-3H3.
What are the key properties of 1-(2,3-dihydropyridin-3-yl)-2,2-dimethylpropan-1-one?
1-(2,3-dihydropyridin-3-yl)-2,2-dimethylpropan-1-one has a molecular weight of 165.24 g/mol, XLogP of 1.86, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydropyridin-3-yl)-2,2-dimethylpropan-1-one is sourced from PubChem (CID 147324643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).