6-cyclopropyl-3-methanimidoyl-4-methyl-1H-pyridin-2-one

C10H12N2O — CID 137152211

IUPAC6-cyclopropyl-3-methanimidoyl-4-methyl-1H-pyridin-2-one
SMILES[H]/N=C/c1c(C)cc(C2CC2)[nH]c1=O
InChIInChI=1S/C10H12N2O/c1-6-4-9(7-2-3-7)12-10(13)8(6)5-11/h4-5,7,11H,2-3H2,1H3,(H,12,13)/b11-5+
InChIKeyADTCAYVIEIYCAU-VZUCSPMQSA-N
MW176.22 g/mol
LogP1.56
Rot. Bonds2

About 6-cyclopropyl-3-methanimidoyl-4-methyl-1H-pyridin-2-one

6-cyclopropyl-3-methanimidoyl-4-methyl-1H-pyridin-2-one (PubChem CID 137152211) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 6-cyclopropyl-3-methanimidoyl-4-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name6-cyclopropyl-3-methanimidoyl-4-methyl-1H-pyridin-2-one
PubChem CID137152211
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name6-cyclopropyl-3-methanimidoyl-4-methyl-1H-pyridin-2-one
SMILES[H]/N=C/c1c(C)cc(C2CC2)[nH]c1=O
InChIInChI=1S/C10H12N2O/c1-6-4-9(7-2-3-7)12-10(13)8(6)5-11/h4-5,7,11H,2-3H2,1H3,(H,12,13)/b11-5+
InChIKeyADTCAYVIEIYCAU-VZUCSPMQSA-N
XLogP1.56
TPSA56.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-(Aminomethyl)-6-cyclopropyl-4-methyl-1,2-dihydropyridin-2-one
CID 67124109
3-(Aminomethyl)-6-cyclopropyl-4-methyl-2(1H)-pyridinone hydrochloride
CID 67124164
6-(1-imino-3-methyliminopropan-2-yl)-3-methyl-1H-pyridin-2-one
CID 90889194
3-methyl-5,8-dihydro-2H-2,6-naphthyridin-1-one
CID 91166669
6-cyclopropyl-3-(1-iminopropan-2-yl)-4-methyl-1H-pyridin-2-one
CID 123915720
4-ethyl-3-methanimidoyl-6-methyl-1H-pyridin-2-one
CID 137078769
6-cyclobutyl-3-methanimidoyl-4-methyl-1H-pyridin-2-one
CID 137078773
4-cyclobutyl-3-methanimidoyl-6-methyl-1H-pyridin-2-one
CID 137078774
1-ethyl-2H-2,7-naphthyridin-3-one
CID 156703532
5-methyl-N-[(E)-pent-2-en-2-yl]-2H-pyridin-2-ide-4-carboxamide;rhenium
CID 171513057
4-(aminomethyl)-6-cyclopropyl-1H-pyridin-2-one
CID 105432452
(E)-N-[(2E,4Z)-6-(2,3-dimethyl-2,3-dihydropyridin-5-yl)-4-[(Z)-1-ethenylprop-1-enyl]hepta-2,4,6-trien-2-yl]-2-methanimidoylbut-2-enamide
CID 142583891

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-3-methanimidoyl-4-methyl-1H-pyridin-2-one?
The IUPAC name of 6-cyclopropyl-3-methanimidoyl-4-methyl-1H-pyridin-2-one (CID 137152211) is 6-cyclopropyl-3-methanimidoyl-4-methyl-1H-pyridin-2-one.
What is the SMILES notation for 6-cyclopropyl-3-methanimidoyl-4-methyl-1H-pyridin-2-one?
The canonical SMILES for 6-cyclopropyl-3-methanimidoyl-4-methyl-1H-pyridin-2-one is [H]/N=C/c1c(C)cc(C2CC2)[nH]c1=O.
What is the InChIKey of 6-cyclopropyl-3-methanimidoyl-4-methyl-1H-pyridin-2-one?
The InChIKey is ADTCAYVIEIYCAU-VZUCSPMQSA-N. The full InChI is InChI=1S/C10H12N2O/c1-6-4-9(7-2-3-7)12-10(13)8(6)5-11/h4-5,7,11H,2-3H2,1H3,(H,12,13)/b11-5+.
What are the key properties of 6-cyclopropyl-3-methanimidoyl-4-methyl-1H-pyridin-2-one?
6-cyclopropyl-3-methanimidoyl-4-methyl-1H-pyridin-2-one has a molecular weight of 176.22 g/mol, XLogP of 1.56, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-3-methanimidoyl-4-methyl-1H-pyridin-2-one is sourced from PubChem (CID 137152211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).