(4Z)-2-cyclopropyl-4-(furan-2-ylmethylidene)-1H-imidazol-5-one

C11H10N2O2 — CID 135934938

IUPAC(4Z)-2-cyclopropyl-4-(furan-2-ylmethylidene)-1H-imidazol-5-one
SMILESO=C1NC(C2CC2)=N/C1=C\c1ccco1
InChIInChI=1S/C11H10N2O2/c14-11-9(6-8-2-1-5-15-8)12-10(13-11)7-3-4-7/h1-2,5-7H,3-4H2,(H,12,13,14)/b9-6-
InChIKeyGIIRJTCHPGENBH-TWGQIWQCSA-N
MW202.21 g/mol
LogP1.56
Rot. Bonds2

About (4Z)-2-cyclopropyl-4-(furan-2-ylmethylidene)-1H-imidazol-5-one

(4Z)-2-cyclopropyl-4-(furan-2-ylmethylidene)-1H-imidazol-5-one (PubChem CID 135934938) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is (4Z)-2-cyclopropyl-4-(furan-2-ylmethylidene)-1H-imidazol-5-one.

Molecular Properties

Compound Name(4Z)-2-cyclopropyl-4-(furan-2-ylmethylidene)-1H-imidazol-5-one
PubChem CID135934938
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC Name(4Z)-2-cyclopropyl-4-(furan-2-ylmethylidene)-1H-imidazol-5-one
SMILESO=C1NC(C2CC2)=N/C1=C\c1ccco1
InChIInChI=1S/C11H10N2O2/c14-11-9(6-8-2-1-5-15-8)12-10(13-11)7-3-4-7/h1-2,5-7H,3-4H2,(H,12,13,14)/b9-6-
InChIKeyGIIRJTCHPGENBH-TWGQIWQCSA-N
XLogP1.56
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4Z)-4-[(2-chlorophenyl)methylidene]-2-cyclopropyl-1H-imidazol-5-one
CID 136893879
(4E)-4-benzylidene-2-(oxan-4-yl)-1H-imidazol-5-one
CID 136893396
(4E)-2-(4-chlorophenyl)-4-(furan-2-ylmethylidene)-1H-imidazol-5-one
CID 136893093
(4E)-2-(2-bromophenyl)-4-(furan-2-ylmethylidene)-1H-imidazol-5-one
CID 135699223
(4E)-4-(1,3-benzodioxol-5-ylmethylidene)-2-cyclopropyl-1H-imidazol-5-one
CID 136894397
(4E)-2-cyclopentyl-4-[(2-methoxyphenyl)methylidene]-1H-imidazol-5-one
CID 136893767
2-(2,4-dichlorophenyl)-4-(furan-2-ylmethylidene)-1H-imidazol-5-one
CID 135519731
(4E)-2-[(4-chlorophenyl)methyl]-4-(furan-2-ylmethylidene)-1H-imidazol-5-one
CID 136893104
(4E)-2-(3,4-dimethylphenyl)-4-(furan-2-ylmethylidene)-1H-imidazol-5-one
CID 136893097
(4Z)-4-[(2-chlorophenyl)methylidene]-2-cyclobutyl-1H-imidazol-5-one
CID 136893922
(4E)-4-[(3,4-dichlorophenyl)methylidene]-2-(oxan-4-yl)-1H-imidazol-5-one
CID 136895344
(4E)-2-cyclohexyl-4-[(3,4-dimethoxyphenyl)methylidene]-1H-imidazol-5-one
CID 136894294

Frequently Asked Questions

What is the IUPAC name of (4Z)-2-cyclopropyl-4-(furan-2-ylmethylidene)-1H-imidazol-5-one?
The IUPAC name of (4Z)-2-cyclopropyl-4-(furan-2-ylmethylidene)-1H-imidazol-5-one (CID 135934938) is (4Z)-2-cyclopropyl-4-(furan-2-ylmethylidene)-1H-imidazol-5-one.
What is the SMILES notation for (4Z)-2-cyclopropyl-4-(furan-2-ylmethylidene)-1H-imidazol-5-one?
The canonical SMILES for (4Z)-2-cyclopropyl-4-(furan-2-ylmethylidene)-1H-imidazol-5-one is O=C1NC(C2CC2)=N/C1=C\c1ccco1.
What is the InChIKey of (4Z)-2-cyclopropyl-4-(furan-2-ylmethylidene)-1H-imidazol-5-one?
The InChIKey is GIIRJTCHPGENBH-TWGQIWQCSA-N. The full InChI is InChI=1S/C11H10N2O2/c14-11-9(6-8-2-1-5-15-8)12-10(13-11)7-3-4-7/h1-2,5-7H,3-4H2,(H,12,13,14)/b9-6-.
What are the key properties of (4Z)-2-cyclopropyl-4-(furan-2-ylmethylidene)-1H-imidazol-5-one?
(4Z)-2-cyclopropyl-4-(furan-2-ylmethylidene)-1H-imidazol-5-one has a molecular weight of 202.21 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-2-cyclopropyl-4-(furan-2-ylmethylidene)-1H-imidazol-5-one is sourced from PubChem (CID 135934938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).