5-amino-1-(2-methylpropyl)-2,3-dihydropyridin-6-one

C9H16N2O — CID 90225049

IUPAC5-amino-1-(2-methylpropyl)-2,3-dihydropyridin-6-one
SMILESCC(C)CN1CCC=C(N)C1=O
InChIInChI=1S/C9H16N2O/c1-7(2)6-11-5-3-4-8(10)9(11)12/h4,7H,3,5-6,10H2,1-2H3
InChIKeyZYZHMPLWJCRIDK-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.72
Rot. Bonds2

About 5-amino-1-(2-methylpropyl)-2,3-dihydropyridin-6-one

5-amino-1-(2-methylpropyl)-2,3-dihydropyridin-6-one (PubChem CID 90225049) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 5-amino-1-(2-methylpropyl)-2,3-dihydropyridin-6-one.

Molecular Properties

Compound Name5-amino-1-(2-methylpropyl)-2,3-dihydropyridin-6-one
PubChem CID90225049
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name5-amino-1-(2-methylpropyl)-2,3-dihydropyridin-6-one
SMILESCC(C)CN1CCC=C(N)C1=O
InChIInChI=1S/C9H16N2O/c1-7(2)6-11-5-3-4-8(10)9(11)12/h4,7H,3,5-6,10H2,1-2H3
InChIKeyZYZHMPLWJCRIDK-UHFFFAOYSA-N
XLogP0.72
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(2-methylpropyl)-2,3-dihydropyridin-6-one?
The IUPAC name of 5-amino-1-(2-methylpropyl)-2,3-dihydropyridin-6-one (CID 90225049) is 5-amino-1-(2-methylpropyl)-2,3-dihydropyridin-6-one.
What is the SMILES notation for 5-amino-1-(2-methylpropyl)-2,3-dihydropyridin-6-one?
The canonical SMILES for 5-amino-1-(2-methylpropyl)-2,3-dihydropyridin-6-one is CC(C)CN1CCC=C(N)C1=O.
What is the InChIKey of 5-amino-1-(2-methylpropyl)-2,3-dihydropyridin-6-one?
The InChIKey is ZYZHMPLWJCRIDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-7(2)6-11-5-3-4-8(10)9(11)12/h4,7H,3,5-6,10H2,1-2H3.
What are the key properties of 5-amino-1-(2-methylpropyl)-2,3-dihydropyridin-6-one?
5-amino-1-(2-methylpropyl)-2,3-dihydropyridin-6-one has a molecular weight of 168.24 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(2-methylpropyl)-2,3-dihydropyridin-6-one is sourced from PubChem (CID 90225049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).