(5Z)-2,3-dimethyl-5-(pyrrolidin-1-ylmethylidene)imidazol-4-one

C10H15N3O — CID 154700608

IUPAC(5Z)-2,3-dimethyl-5-(pyrrolidin-1-ylmethylidene)imidazol-4-one
SMILESCC1=N/C(=C\N2CCCC2)C(=O)N1C
InChIInChI=1S/C10H15N3O/c1-8-11-9(10(14)12(8)2)7-13-5-3-4-6-13/h7H,3-6H2,1-2H3/b9-7-
InChIKeyNPFDKKTUKYXWCQ-CLFYSBASSA-N
MW193.25 g/mol
LogP0.81
Rot. Bonds1

About (5Z)-2,3-dimethyl-5-(pyrrolidin-1-ylmethylidene)imidazol-4-one

(5Z)-2,3-dimethyl-5-(pyrrolidin-1-ylmethylidene)imidazol-4-one (PubChem CID 154700608) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is (5Z)-2,3-dimethyl-5-(pyrrolidin-1-ylmethylidene)imidazol-4-one.

Molecular Properties

Compound Name(5Z)-2,3-dimethyl-5-(pyrrolidin-1-ylmethylidene)imidazol-4-one
PubChem CID154700608
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name(5Z)-2,3-dimethyl-5-(pyrrolidin-1-ylmethylidene)imidazol-4-one
SMILESCC1=N/C(=C\N2CCCC2)C(=O)N1C
InChIInChI=1S/C10H15N3O/c1-8-11-9(10(14)12(8)2)7-13-5-3-4-6-13/h7H,3-6H2,1-2H3/b9-7-
InChIKeyNPFDKKTUKYXWCQ-CLFYSBASSA-N
XLogP0.81
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5z)-2,3-Dimethyl-5-[(dimethylamino)methylidene]-3,5-dihydro-4h-imidazol-4-one
CID 154700593
(5z)-2,3-Dimethyl-5-(piperidin-1-ylmethylidene)-3,5-dihydro-4h-imidazol-4-one
CID 154700618
2,3-Dimethyl-5-methylideneimidazol-4-one
CID 20614783
(6R)-3-[iodo(methyl)amino]-6-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
CID 163608970

Frequently Asked Questions

What is the IUPAC name of (5Z)-2,3-dimethyl-5-(pyrrolidin-1-ylmethylidene)imidazol-4-one?
The IUPAC name of (5Z)-2,3-dimethyl-5-(pyrrolidin-1-ylmethylidene)imidazol-4-one (CID 154700608) is (5Z)-2,3-dimethyl-5-(pyrrolidin-1-ylmethylidene)imidazol-4-one.
What is the SMILES notation for (5Z)-2,3-dimethyl-5-(pyrrolidin-1-ylmethylidene)imidazol-4-one?
The canonical SMILES for (5Z)-2,3-dimethyl-5-(pyrrolidin-1-ylmethylidene)imidazol-4-one is CC1=N/C(=C\N2CCCC2)C(=O)N1C.
What is the InChIKey of (5Z)-2,3-dimethyl-5-(pyrrolidin-1-ylmethylidene)imidazol-4-one?
The InChIKey is NPFDKKTUKYXWCQ-CLFYSBASSA-N. The full InChI is InChI=1S/C10H15N3O/c1-8-11-9(10(14)12(8)2)7-13-5-3-4-6-13/h7H,3-6H2,1-2H3/b9-7-.
What are the key properties of (5Z)-2,3-dimethyl-5-(pyrrolidin-1-ylmethylidene)imidazol-4-one?
(5Z)-2,3-dimethyl-5-(pyrrolidin-1-ylmethylidene)imidazol-4-one has a molecular weight of 193.25 g/mol, XLogP of 0.81, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2,3-dimethyl-5-(pyrrolidin-1-ylmethylidene)imidazol-4-one is sourced from PubChem (CID 154700608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).