5-(1-amino-3-methyliminoprop-1-en-2-yl)-4-methyl-1H-pyridin-2-one

C10H13N3O — CID 163477509

IUPAC5-(1-amino-3-methyliminoprop-1-en-2-yl)-4-methyl-1H-pyridin-2-one
SMILESC/N=C/C(=CN)c1c[nH]c(=O)cc1C
InChIInChI=1S/C10H13N3O/c1-7-3-10(14)13-6-9(7)8(4-11)5-12-2/h3-6H,11H2,1-2H3,(H,13,14)/b8-4?,12-5+
InChIKeyIXMLXUWHWKFYLB-RIYQADQTSA-N
MW191.23 g/mol
LogP0.68
Rot. Bonds2

About 5-(1-amino-3-methyliminoprop-1-en-2-yl)-4-methyl-1H-pyridin-2-one

5-(1-amino-3-methyliminoprop-1-en-2-yl)-4-methyl-1H-pyridin-2-one (PubChem CID 163477509) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 5-(1-amino-3-methyliminoprop-1-en-2-yl)-4-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(1-amino-3-methyliminoprop-1-en-2-yl)-4-methyl-1H-pyridin-2-one
PubChem CID163477509
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name5-(1-amino-3-methyliminoprop-1-en-2-yl)-4-methyl-1H-pyridin-2-one
SMILESC/N=C/C(=CN)c1c[nH]c(=O)cc1C
InChIInChI=1S/C10H13N3O/c1-7-3-10(14)13-6-9(7)8(4-11)5-12-2/h3-6H,11H2,1-2H3,(H,13,14)/b8-4?,12-5+
InChIKeyIXMLXUWHWKFYLB-RIYQADQTSA-N
XLogP0.68
TPSA71.24 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 50.68
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 5-(1-amino-3-methyliminoprop-1-en-2-yl)-4-methyl-1H-pyridin-2-one?
The IUPAC name of 5-(1-amino-3-methyliminoprop-1-en-2-yl)-4-methyl-1H-pyridin-2-one (CID 163477509) is 5-(1-amino-3-methyliminoprop-1-en-2-yl)-4-methyl-1H-pyridin-2-one.
What is the SMILES notation for 5-(1-amino-3-methyliminoprop-1-en-2-yl)-4-methyl-1H-pyridin-2-one?
The canonical SMILES for 5-(1-amino-3-methyliminoprop-1-en-2-yl)-4-methyl-1H-pyridin-2-one is C/N=C/C(=CN)c1c[nH]c(=O)cc1C.
What is the InChIKey of 5-(1-amino-3-methyliminoprop-1-en-2-yl)-4-methyl-1H-pyridin-2-one?
The InChIKey is IXMLXUWHWKFYLB-RIYQADQTSA-N. The full InChI is InChI=1S/C10H13N3O/c1-7-3-10(14)13-6-9(7)8(4-11)5-12-2/h3-6H,11H2,1-2H3,(H,13,14)/b8-4?,12-5+.
What are the key properties of 5-(1-amino-3-methyliminoprop-1-en-2-yl)-4-methyl-1H-pyridin-2-one?
5-(1-amino-3-methyliminoprop-1-en-2-yl)-4-methyl-1H-pyridin-2-one has a molecular weight of 191.23 g/mol, XLogP of 0.68, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-amino-3-methyliminoprop-1-en-2-yl)-4-methyl-1H-pyridin-2-one is sourced from PubChem (CID 163477509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).