(5Z)-2-imino-1-methyl-5-(pyridin-3-ylmethylidene)imidazolidin-4-one

C10H10N4O — CID 154735381

IUPAC(5Z)-2-imino-1-methyl-5-(pyridin-3-ylmethylidene)imidazolidin-4-one
SMILES[H]/N=C1\NC(=O)/C(=C/c2cccnc2)N1C
InChIInChI=1S/C10H10N4O/c1-14-8(9(15)13-10(14)11)5-7-3-2-4-12-6-7/h2-6H,1H3,(H2,11,13,15)/b8-5-
InChIKeyIRJBOJXAYASJRL-YVMONPNESA-N
MW202.22 g/mol
LogP0.42
Rot. Bonds1

About (5Z)-2-imino-1-methyl-5-(pyridin-3-ylmethylidene)imidazolidin-4-one

(5Z)-2-imino-1-methyl-5-(pyridin-3-ylmethylidene)imidazolidin-4-one (PubChem CID 154735381) has the molecular formula C10H10N4O and a molecular weight of 202.22 g/mol. Its IUPAC name is (5Z)-2-imino-1-methyl-5-(pyridin-3-ylmethylidene)imidazolidin-4-one.

Molecular Properties

Compound Name(5Z)-2-imino-1-methyl-5-(pyridin-3-ylmethylidene)imidazolidin-4-one
PubChem CID154735381
Molecular FormulaC10H10N4O
Molecular Weight202.22 g/mol
Exact Mass202.09
IUPAC Name(5Z)-2-imino-1-methyl-5-(pyridin-3-ylmethylidene)imidazolidin-4-one
SMILES[H]/N=C1\NC(=O)/C(=C/c2cccnc2)N1C
InChIInChI=1S/C10H10N4O/c1-14-8(9(15)13-10(14)11)5-7-3-2-4-12-6-7/h2-6H,1H3,(H2,11,13,15)/b8-5-
InChIKeyIRJBOJXAYASJRL-YVMONPNESA-N
XLogP0.42
TPSA69.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.22
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5Z)-2-imino-1-methyl-5-(pyridin-3-ylmethylidene)imidazolidin-4-one?
The IUPAC name of (5Z)-2-imino-1-methyl-5-(pyridin-3-ylmethylidene)imidazolidin-4-one (CID 154735381) is (5Z)-2-imino-1-methyl-5-(pyridin-3-ylmethylidene)imidazolidin-4-one.
What is the SMILES notation for (5Z)-2-imino-1-methyl-5-(pyridin-3-ylmethylidene)imidazolidin-4-one?
The canonical SMILES for (5Z)-2-imino-1-methyl-5-(pyridin-3-ylmethylidene)imidazolidin-4-one is [H]/N=C1\NC(=O)/C(=C/c2cccnc2)N1C.
What is the InChIKey of (5Z)-2-imino-1-methyl-5-(pyridin-3-ylmethylidene)imidazolidin-4-one?
The InChIKey is IRJBOJXAYASJRL-YVMONPNESA-N. The full InChI is InChI=1S/C10H10N4O/c1-14-8(9(15)13-10(14)11)5-7-3-2-4-12-6-7/h2-6H,1H3,(H2,11,13,15)/b8-5-.
What are the key properties of (5Z)-2-imino-1-methyl-5-(pyridin-3-ylmethylidene)imidazolidin-4-one?
(5Z)-2-imino-1-methyl-5-(pyridin-3-ylmethylidene)imidazolidin-4-one has a molecular weight of 202.22 g/mol, XLogP of 0.42, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-imino-1-methyl-5-(pyridin-3-ylmethylidene)imidazolidin-4-one is sourced from PubChem (CID 154735381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).