6-(1-imino-3-methyliminopropan-2-yl)-3-methyl-1H-pyridin-2-one

C10H13N3O — CID 90889194

IUPAC6-(1-imino-3-methyliminopropan-2-yl)-3-methyl-1H-pyridin-2-one
SMILES[H]/N=C/C(/C=N/C)c1ccc(C)c(=O)[nH]1
InChIInChI=1S/C10H13N3O/c1-7-3-4-9(13-10(7)14)8(5-11)6-12-2/h3-6,8,11H,1-2H3,(H,13,14)/b11-5+,12-6+
InChIKeyWBLDKMOBLAQYGK-YDWXAUTNSA-N
MW191.23 g/mol
LogP1.12
Rot. Bonds3

About 6-(1-imino-3-methyliminopropan-2-yl)-3-methyl-1H-pyridin-2-one

6-(1-imino-3-methyliminopropan-2-yl)-3-methyl-1H-pyridin-2-one (PubChem CID 90889194) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 6-(1-imino-3-methyliminopropan-2-yl)-3-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name6-(1-imino-3-methyliminopropan-2-yl)-3-methyl-1H-pyridin-2-one
PubChem CID90889194
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name6-(1-imino-3-methyliminopropan-2-yl)-3-methyl-1H-pyridin-2-one
SMILES[H]/N=C/C(/C=N/C)c1ccc(C)c(=O)[nH]1
InChIInChI=1S/C10H13N3O/c1-7-3-4-9(13-10(7)14)8(5-11)6-12-2/h3-6,8,11H,1-2H3,(H,13,14)/b11-5+,12-6+
InChIKeyWBLDKMOBLAQYGK-YDWXAUTNSA-N
XLogP1.12
TPSA69.07 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(1-imino-3-methyliminopropan-2-yl)-3-methyl-1H-pyridin-2-one?
The IUPAC name of 6-(1-imino-3-methyliminopropan-2-yl)-3-methyl-1H-pyridin-2-one (CID 90889194) is 6-(1-imino-3-methyliminopropan-2-yl)-3-methyl-1H-pyridin-2-one.
What is the SMILES notation for 6-(1-imino-3-methyliminopropan-2-yl)-3-methyl-1H-pyridin-2-one?
The canonical SMILES for 6-(1-imino-3-methyliminopropan-2-yl)-3-methyl-1H-pyridin-2-one is [H]/N=C/C(/C=N/C)c1ccc(C)c(=O)[nH]1.
What is the InChIKey of 6-(1-imino-3-methyliminopropan-2-yl)-3-methyl-1H-pyridin-2-one?
The InChIKey is WBLDKMOBLAQYGK-YDWXAUTNSA-N. The full InChI is InChI=1S/C10H13N3O/c1-7-3-4-9(13-10(7)14)8(5-11)6-12-2/h3-6,8,11H,1-2H3,(H,13,14)/b11-5+,12-6+.
What are the key properties of 6-(1-imino-3-methyliminopropan-2-yl)-3-methyl-1H-pyridin-2-one?
6-(1-imino-3-methyliminopropan-2-yl)-3-methyl-1H-pyridin-2-one has a molecular weight of 191.23 g/mol, XLogP of 1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-imino-3-methyliminopropan-2-yl)-3-methyl-1H-pyridin-2-one is sourced from PubChem (CID 90889194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).