(3E)-3-(ethoxymethylidene)-1-(1-methylimidazol-2-yl)pentan-2-ol

C12H20N2O2 — CID 14269784

IUPAC(3E)-3-(ethoxymethylidene)-1-(1-methylimidazol-2-yl)pentan-2-ol
SMILESCCO/C=C(\CC)C(O)Cc1nccn1C
InChIInChI=1S/C12H20N2O2/c1-4-10(9-16-5-2)11(15)8-12-13-6-7-14(12)3/h6-7,9,11,15H,4-5,8H2,1-3H3/b10-9+
InChIKeyCSBVRRDLCHQKBM-MDZDMXLPSA-N
MW224.30 g/mol
LogP1.65
Rot. Bonds6

About (3E)-3-(ethoxymethylidene)-1-(1-methylimidazol-2-yl)pentan-2-ol

(3E)-3-(ethoxymethylidene)-1-(1-methylimidazol-2-yl)pentan-2-ol (PubChem CID 14269784) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is (3E)-3-(ethoxymethylidene)-1-(1-methylimidazol-2-yl)pentan-2-ol.

Molecular Properties

Compound Name(3E)-3-(ethoxymethylidene)-1-(1-methylimidazol-2-yl)pentan-2-ol
PubChem CID14269784
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name(3E)-3-(ethoxymethylidene)-1-(1-methylimidazol-2-yl)pentan-2-ol
SMILESCCO/C=C(\CC)C(O)Cc1nccn1C
InChIInChI=1S/C12H20N2O2/c1-4-10(9-16-5-2)11(15)8-12-13-6-7-14(12)3/h6-7,9,11,15H,4-5,8H2,1-3H3/b10-9+
InChIKeyCSBVRRDLCHQKBM-MDZDMXLPSA-N
XLogP1.65
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze (3E)-3-(ethoxymethylidene)-1-(1-methylimidazol-2-yl)pentan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-ethoxy-3-ethyl-1-(1-methylimidazol-2-yl)pentan-2-ol
CID 116752394
1,1-diethoxy-3-(1-methylimidazol-2-yl)propan-2-ol
CID 79753127
ethyl 2-amino-3-(1-methylimidazol-2-yl)propanoate
CID 62961673
3-methoxy-4-methyl-1-(1-methylimidazol-2-yl)pentan-2-ol
CID 116711834
5-ethoxy-1-(1-methylimidazol-2-yl)pentan-2-ol
CID 105113599
3-methyl-1-(1-methylimidazol-2-yl)-3-methylsulfonylbutan-2-ol
CID 115820431
ethyl 2-fluoro-3-(1-methylimidazol-2-yl)propanoate
CID 79738546
2-ethyl-1-methylimidazole;ethyl(trihydroxy)phosphanium
CID 174757497
2-(3-bromo-2-methylpropyl)-1-methylimidazole
CID 64671780
(1-methylimidazol-2-yl)methyl propanoate
CID 166101479
2-butyl-1-methylimidazole;propan-2-ol;hydrochloride
CID 175427574
1-cyclobutyl-3-(1-methylimidazol-2-yl)propan-2-ol
CID 103170139

Frequently Asked Questions

What is the IUPAC name of (3E)-3-(ethoxymethylidene)-1-(1-methylimidazol-2-yl)pentan-2-ol?
The IUPAC name of (3E)-3-(ethoxymethylidene)-1-(1-methylimidazol-2-yl)pentan-2-ol (CID 14269784) is (3E)-3-(ethoxymethylidene)-1-(1-methylimidazol-2-yl)pentan-2-ol.
What is the SMILES notation for (3E)-3-(ethoxymethylidene)-1-(1-methylimidazol-2-yl)pentan-2-ol?
The canonical SMILES for (3E)-3-(ethoxymethylidene)-1-(1-methylimidazol-2-yl)pentan-2-ol is CCO/C=C(\CC)C(O)Cc1nccn1C.
What is the InChIKey of (3E)-3-(ethoxymethylidene)-1-(1-methylimidazol-2-yl)pentan-2-ol?
The InChIKey is CSBVRRDLCHQKBM-MDZDMXLPSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-4-10(9-16-5-2)11(15)8-12-13-6-7-14(12)3/h6-7,9,11,15H,4-5,8H2,1-3H3/b10-9+.
What are the key properties of (3E)-3-(ethoxymethylidene)-1-(1-methylimidazol-2-yl)pentan-2-ol?
(3E)-3-(ethoxymethylidene)-1-(1-methylimidazol-2-yl)pentan-2-ol has a molecular weight of 224.30 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-(ethoxymethylidene)-1-(1-methylimidazol-2-yl)pentan-2-ol is sourced from PubChem (CID 14269784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).