(1R)-4-methyl-1-(1-methylimidazol-4-yl)pent-2-yn-1-ol

C10H14N2O — CID 118967253

IUPAC(1R)-4-methyl-1-(1-methylimidazol-4-yl)pent-2-yn-1-ol
SMILESCC(C)C#C[C@@H](O)c1cn(C)cn1
InChIInChI=1S/C10H14N2O/c1-8(2)4-5-10(13)9-6-12(3)7-11-9/h6-8,10,13H,1-3H3/t10-/m1/s1
InChIKeyYAUNQCHCWYVAHH-SNVBAGLBSA-N
MW178.23 g/mol
LogP1.11
Rot. Bonds1

About (1R)-4-methyl-1-(1-methylimidazol-4-yl)pent-2-yn-1-ol

(1R)-4-methyl-1-(1-methylimidazol-4-yl)pent-2-yn-1-ol (PubChem CID 118967253) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is (1R)-4-methyl-1-(1-methylimidazol-4-yl)pent-2-yn-1-ol.

Molecular Properties

Compound Name(1R)-4-methyl-1-(1-methylimidazol-4-yl)pent-2-yn-1-ol
PubChem CID118967253
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC Name(1R)-4-methyl-1-(1-methylimidazol-4-yl)pent-2-yn-1-ol
SMILESCC(C)C#C[C@@H](O)c1cn(C)cn1
InChIInChI=1S/C10H14N2O/c1-8(2)4-5-10(13)9-6-12(3)7-11-9/h6-8,10,13H,1-3H3/t10-/m1/s1
InChIKeyYAUNQCHCWYVAHH-SNVBAGLBSA-N
XLogP1.11
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 130508965
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CID 130598579
(1-methylimidazol-4-yl)-(propan-2-ylamino)methanol
CID 129044247
(1S)-1-(1-methylimidazol-4-yl)ethanamine
CID 96637865
(1R)-1-(1-methylimidazol-4-yl)ethanamine;dihydrochloride
CID 162341661
(1R)-2,2,2-trifluoro-1-(1-methylimidazol-4-yl)ethanol
CID 130508957
2-cyclopropyl-1-(1-methylimidazol-4-yl)propan-1-ol
CID 130509808
1-(1-methylimidazol-4-yl)ethylhydrazine
CID 107978855
3-methyl-1-(1-methylimidazol-4-yl)but-2-en-1-amine
CID 107976194
4-methoxy-2-methyl-1-(1-methylimidazol-4-yl)butan-1-ol
CID 107978695
(1-methoxycyclobutyl)-(1-methylimidazol-4-yl)methanol
CID 130508959
4-chloro-1-(1-methylimidazol-4-yl)butane-1,2-diol
CID 171894848

Frequently Asked Questions

What is the IUPAC name of (1R)-4-methyl-1-(1-methylimidazol-4-yl)pent-2-yn-1-ol?
The IUPAC name of (1R)-4-methyl-1-(1-methylimidazol-4-yl)pent-2-yn-1-ol (CID 118967253) is (1R)-4-methyl-1-(1-methylimidazol-4-yl)pent-2-yn-1-ol.
What is the SMILES notation for (1R)-4-methyl-1-(1-methylimidazol-4-yl)pent-2-yn-1-ol?
The canonical SMILES for (1R)-4-methyl-1-(1-methylimidazol-4-yl)pent-2-yn-1-ol is CC(C)C#C[C@@H](O)c1cn(C)cn1.
What is the InChIKey of (1R)-4-methyl-1-(1-methylimidazol-4-yl)pent-2-yn-1-ol?
The InChIKey is YAUNQCHCWYVAHH-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H14N2O/c1-8(2)4-5-10(13)9-6-12(3)7-11-9/h6-8,10,13H,1-3H3/t10-/m1/s1.
What are the key properties of (1R)-4-methyl-1-(1-methylimidazol-4-yl)pent-2-yn-1-ol?
(1R)-4-methyl-1-(1-methylimidazol-4-yl)pent-2-yn-1-ol has a molecular weight of 178.23 g/mol, XLogP of 1.11, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-4-methyl-1-(1-methylimidazol-4-yl)pent-2-yn-1-ol is sourced from PubChem (CID 118967253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).