2-methyl-2-[2-(1-methylimidazol-2-yl)ethyl]but-3-en-1-ol

C11H18N2O — CID 102641813

IUPAC2-methyl-2-[2-(1-methylimidazol-2-yl)ethyl]but-3-en-1-ol
SMILESC=CC(C)(CO)CCc1nccn1C
InChIInChI=1S/C11H18N2O/c1-4-11(2,9-14)6-5-10-12-7-8-13(10)3/h4,7-8,14H,1,5-6,9H2,2-3H3
InChIKeyFKSAHBRHQMNTDH-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.54
Rot. Bonds5

About 2-methyl-2-[2-(1-methylimidazol-2-yl)ethyl]but-3-en-1-ol

2-methyl-2-[2-(1-methylimidazol-2-yl)ethyl]but-3-en-1-ol (PubChem CID 102641813) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 2-methyl-2-[2-(1-methylimidazol-2-yl)ethyl]but-3-en-1-ol.

Molecular Properties

Compound Name2-methyl-2-[2-(1-methylimidazol-2-yl)ethyl]but-3-en-1-ol
PubChem CID102641813
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name2-methyl-2-[2-(1-methylimidazol-2-yl)ethyl]but-3-en-1-ol
SMILESC=CC(C)(CO)CCc1nccn1C
InChIInChI=1S/C11H18N2O/c1-4-11(2,9-14)6-5-10-12-7-8-13(10)3/h4,7-8,14H,1,5-6,9H2,2-3H3
InChIKeyFKSAHBRHQMNTDH-UHFFFAOYSA-N
XLogP1.54
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-methyl-2-[2-(1-methylimidazol-2-yl)ethyl]but-3-en-1-amine
CID 102640713
2-(aminomethyl)-2-(cyclopropylmethyl)-4-(1-methylimidazol-2-yl)butan-1-ol
CID 106506866
1-methyl-2-[3-(1-methylimidazol-2-yl)propyl]imidazole
CID 67392091
3-ethyl-1-(1-methylimidazol-2-yl)pentan-3-amine
CID 114529364
2-[3-(chloromethyl)-3-methylhexyl]-1-methylimidazole
CID 114532702
2-methoxycarbonyl-2-methyl-4-(1-methylimidazol-2-yl)butanoic acid
CID 114899630
2-(1-methylimidazol-2-yl)ethanol;sulfuric acid
CID 90239240
2-[3,3-bis(chloromethyl)pentyl]-1-methylimidazole
CID 114532819
azane;1-methyl-2-propylimidazole
CID 174525892
1-(1-methylimidazol-2-yl)hex-5-en-3-ylhydrazine
CID 105269747
2-methyl-1-[2-(1-methylimidazol-2-yl)ethylamino]butan-2-ol
CID 114493001
2-[2-(1-methylimidazol-2-yl)ethoxy]ethanol
CID 90045312

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[2-(1-methylimidazol-2-yl)ethyl]but-3-en-1-ol?
The IUPAC name of 2-methyl-2-[2-(1-methylimidazol-2-yl)ethyl]but-3-en-1-ol (CID 102641813) is 2-methyl-2-[2-(1-methylimidazol-2-yl)ethyl]but-3-en-1-ol.
What is the SMILES notation for 2-methyl-2-[2-(1-methylimidazol-2-yl)ethyl]but-3-en-1-ol?
The canonical SMILES for 2-methyl-2-[2-(1-methylimidazol-2-yl)ethyl]but-3-en-1-ol is C=CC(C)(CO)CCc1nccn1C.
What is the InChIKey of 2-methyl-2-[2-(1-methylimidazol-2-yl)ethyl]but-3-en-1-ol?
The InChIKey is FKSAHBRHQMNTDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-4-11(2,9-14)6-5-10-12-7-8-13(10)3/h4,7-8,14H,1,5-6,9H2,2-3H3.
What are the key properties of 2-methyl-2-[2-(1-methylimidazol-2-yl)ethyl]but-3-en-1-ol?
2-methyl-2-[2-(1-methylimidazol-2-yl)ethyl]but-3-en-1-ol has a molecular weight of 194.28 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[2-(1-methylimidazol-2-yl)ethyl]but-3-en-1-ol is sourced from PubChem (CID 102641813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).