3-amino-5-cyclopropyl-1-methylpyridin-2-one

C9H12N2O — CID 157042124

IUPAC3-amino-5-cyclopropyl-1-methylpyridin-2-one
SMILESCn1cc(C2CC2)cc(N)c1=O
InChIInChI=1S/C9H12N2O/c1-11-5-7(6-2-3-6)4-8(10)9(11)12/h4-6H,2-3,10H2,1H3
InChIKeyPMICVSRGNBDKOY-UHFFFAOYSA-N
MW164.21 g/mol
LogP0.84
Rot. Bonds1

About 3-amino-5-cyclopropyl-1-methylpyridin-2-one

3-amino-5-cyclopropyl-1-methylpyridin-2-one (PubChem CID 157042124) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 3-amino-5-cyclopropyl-1-methylpyridin-2-one.

Molecular Properties

Compound Name3-amino-5-cyclopropyl-1-methylpyridin-2-one
PubChem CID157042124
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name3-amino-5-cyclopropyl-1-methylpyridin-2-one
SMILESCn1cc(C2CC2)cc(N)c1=O
InChIInChI=1S/C9H12N2O/c1-11-5-7(6-2-3-6)4-8(10)9(11)12/h4-6H,2-3,10H2,1H3
InChIKeyPMICVSRGNBDKOY-UHFFFAOYSA-N
XLogP0.84
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-cyclopropyl-1-methylpyridin-2-one?
The IUPAC name of 3-amino-5-cyclopropyl-1-methylpyridin-2-one (CID 157042124) is 3-amino-5-cyclopropyl-1-methylpyridin-2-one.
What is the SMILES notation for 3-amino-5-cyclopropyl-1-methylpyridin-2-one?
The canonical SMILES for 3-amino-5-cyclopropyl-1-methylpyridin-2-one is Cn1cc(C2CC2)cc(N)c1=O.
What is the InChIKey of 3-amino-5-cyclopropyl-1-methylpyridin-2-one?
The InChIKey is PMICVSRGNBDKOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-11-5-7(6-2-3-6)4-8(10)9(11)12/h4-6H,2-3,10H2,1H3.
What are the key properties of 3-amino-5-cyclopropyl-1-methylpyridin-2-one?
3-amino-5-cyclopropyl-1-methylpyridin-2-one has a molecular weight of 164.21 g/mol, XLogP of 0.84, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-cyclopropyl-1-methylpyridin-2-one is sourced from PubChem (CID 157042124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).