(4E,5E)-4-but-3-en-2-ylidene-5-ethylidene-1-hydroxyimidazole

C9H12N2O — CID 131965942

IUPAC(4E,5E)-4-but-3-en-2-ylidene-5-ethylidene-1-hydroxyimidazole
SMILESC=C/C(C)=c1/ncn(O)/c1=C/C
InChIInChI=1S/C9H12N2O/c1-4-7(3)9-8(5-2)11(12)6-10-9/h4-6,12H,1H2,2-3H3/b8-5+,9-7+
InChIKeyRFBWWEJHMCLTDA-OCIXRKKMSA-N
MW164.21 g/mol
LogP0.28
Rot. Bonds1

About (4E,5E)-4-but-3-en-2-ylidene-5-ethylidene-1-hydroxyimidazole

(4E,5E)-4-but-3-en-2-ylidene-5-ethylidene-1-hydroxyimidazole (PubChem CID 131965942) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is (4E,5E)-4-but-3-en-2-ylidene-5-ethylidene-1-hydroxyimidazole.

Molecular Properties

Compound Name(4E,5E)-4-but-3-en-2-ylidene-5-ethylidene-1-hydroxyimidazole
PubChem CID131965942
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name(4E,5E)-4-but-3-en-2-ylidene-5-ethylidene-1-hydroxyimidazole
SMILESC=C/C(C)=c1/ncn(O)/c1=C/C
InChIInChI=1S/C9H12N2O/c1-4-7(3)9-8(5-2)11(12)6-10-9/h4-6,12H,1H2,2-3H3/b8-5+,9-7+
InChIKeyRFBWWEJHMCLTDA-OCIXRKKMSA-N
XLogP0.28
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4E,5E)-4-but-3-en-2-ylidene-5-ethylidene-1-hydroxyimidazole?
The IUPAC name of (4E,5E)-4-but-3-en-2-ylidene-5-ethylidene-1-hydroxyimidazole (CID 131965942) is (4E,5E)-4-but-3-en-2-ylidene-5-ethylidene-1-hydroxyimidazole.
What is the SMILES notation for (4E,5E)-4-but-3-en-2-ylidene-5-ethylidene-1-hydroxyimidazole?
The canonical SMILES for (4E,5E)-4-but-3-en-2-ylidene-5-ethylidene-1-hydroxyimidazole is C=C/C(C)=c1/ncn(O)/c1=C/C.
What is the InChIKey of (4E,5E)-4-but-3-en-2-ylidene-5-ethylidene-1-hydroxyimidazole?
The InChIKey is RFBWWEJHMCLTDA-OCIXRKKMSA-N. The full InChI is InChI=1S/C9H12N2O/c1-4-7(3)9-8(5-2)11(12)6-10-9/h4-6,12H,1H2,2-3H3/b8-5+,9-7+.
What are the key properties of (4E,5E)-4-but-3-en-2-ylidene-5-ethylidene-1-hydroxyimidazole?
(4E,5E)-4-but-3-en-2-ylidene-5-ethylidene-1-hydroxyimidazole has a molecular weight of 164.21 g/mol, XLogP of 0.28, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,5E)-4-but-3-en-2-ylidene-5-ethylidene-1-hydroxyimidazole is sourced from PubChem (CID 131965942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).