1-(1,2-dihydropyridin-6-yl)-2-methylpropan-1-one

C9H13NO — CID 59461420

IUPAC1-(1,2-dihydropyridin-6-yl)-2-methylpropan-1-one
SMILESCC(C)C(=O)C1=CC=CCN1
InChIInChI=1S/C9H13NO/c1-7(2)9(11)8-5-3-4-6-10-8/h3-5,7,10H,6H2,1-2H3
InChIKeyMFSRYHNWUGKNTA-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.25
Rot. Bonds2

About 1-(1,2-dihydropyridin-6-yl)-2-methylpropan-1-one

1-(1,2-dihydropyridin-6-yl)-2-methylpropan-1-one (PubChem CID 59461420) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 1-(1,2-dihydropyridin-6-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(1,2-dihydropyridin-6-yl)-2-methylpropan-1-one
PubChem CID59461420
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name1-(1,2-dihydropyridin-6-yl)-2-methylpropan-1-one
SMILESCC(C)C(=O)C1=CC=CCN1
InChIInChI=1S/C9H13NO/c1-7(2)9(11)8-5-3-4-6-10-8/h3-5,7,10H,6H2,1-2H3
InChIKeyMFSRYHNWUGKNTA-UHFFFAOYSA-N
XLogP1.25
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2-dihydropyridin-6-yl)-2-methylpropan-1-one?
The IUPAC name of 1-(1,2-dihydropyridin-6-yl)-2-methylpropan-1-one (CID 59461420) is 1-(1,2-dihydropyridin-6-yl)-2-methylpropan-1-one.
What is the SMILES notation for 1-(1,2-dihydropyridin-6-yl)-2-methylpropan-1-one?
The canonical SMILES for 1-(1,2-dihydropyridin-6-yl)-2-methylpropan-1-one is CC(C)C(=O)C1=CC=CCN1.
What is the InChIKey of 1-(1,2-dihydropyridin-6-yl)-2-methylpropan-1-one?
The InChIKey is MFSRYHNWUGKNTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-7(2)9(11)8-5-3-4-6-10-8/h3-5,7,10H,6H2,1-2H3.
What are the key properties of 1-(1,2-dihydropyridin-6-yl)-2-methylpropan-1-one?
1-(1,2-dihydropyridin-6-yl)-2-methylpropan-1-one has a molecular weight of 151.21 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-dihydropyridin-6-yl)-2-methylpropan-1-one is sourced from PubChem (CID 59461420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).