(2R)-2-[(3-methylimidazol-4-yl)methyl]pent-3-yn-1-ol

C10H14N2O — CID 67909048

IUPAC(2R)-2-[(3-methylimidazol-4-yl)methyl]pent-3-yn-1-ol
SMILESCC#C[C@H](CO)Cc1cncn1C
InChIInChI=1S/C10H14N2O/c1-3-4-9(7-13)5-10-6-11-8-12(10)2/h6,8-9,13H,5,7H2,1-2H3/t9-/m0/s1
InChIKeyDEGRYOIIGZOTEY-VIFPVBQESA-N
MW178.23 g/mol
LogP0.59
Rot. Bonds3

About (2R)-2-[(3-methylimidazol-4-yl)methyl]pent-3-yn-1-ol

(2R)-2-[(3-methylimidazol-4-yl)methyl]pent-3-yn-1-ol (PubChem CID 67909048) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is (2R)-2-[(3-methylimidazol-4-yl)methyl]pent-3-yn-1-ol.

Molecular Properties

Compound Name(2R)-2-[(3-methylimidazol-4-yl)methyl]pent-3-yn-1-ol
PubChem CID67909048
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC Name(2R)-2-[(3-methylimidazol-4-yl)methyl]pent-3-yn-1-ol
SMILESCC#C[C@H](CO)Cc1cncn1C
InChIInChI=1S/C10H14N2O/c1-3-4-9(7-13)5-10-6-11-8-12(10)2/h6,8-9,13H,5,7H2,1-2H3/t9-/m0/s1
InChIKeyDEGRYOIIGZOTEY-VIFPVBQESA-N
XLogP0.59
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 50.59
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

1-methyl-5-[(2S)-2-methylbutyl]imidazole
CID 89173757
2-[(3-methylimidazol-4-yl)methylamino]propane-1,3-diol
CID 66117929
1-(3-methylimidazol-4-yl)butan-2-amine
CID 55254956
(3S)-3-amino-4-(3-methylimidazol-4-yl)butan-2-one
CID 59371796
2-[(3-methylimidazol-4-yl)methylamino]propan-1-ol
CID 66117228
(2S)-2-amino-3-(3-methylimidazol-4-yl)propanoic acid
CID 67703673
CID 131864768
CID 131864768
3-(3-methylimidazol-4-yl)propan-1-ol
CID 45087839
(2S)-2-amino-3-(3-methylimidazol-4-yl)propanoyl chloride
CID 57324363
3-[(3-methylimidazol-4-yl)methylsulfanyl]propane-1,2-diol
CID 79682198
(2S)-2-[(3-methylimidazol-4-yl)methylamino]butan-1-ol
CID 104980400
2-[(3-methylimidazol-4-yl)methylamino]butan-1-ol
CID 62998061

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3-methylimidazol-4-yl)methyl]pent-3-yn-1-ol?
The IUPAC name of (2R)-2-[(3-methylimidazol-4-yl)methyl]pent-3-yn-1-ol (CID 67909048) is (2R)-2-[(3-methylimidazol-4-yl)methyl]pent-3-yn-1-ol.
What is the SMILES notation for (2R)-2-[(3-methylimidazol-4-yl)methyl]pent-3-yn-1-ol?
The canonical SMILES for (2R)-2-[(3-methylimidazol-4-yl)methyl]pent-3-yn-1-ol is CC#C[C@H](CO)Cc1cncn1C.
What is the InChIKey of (2R)-2-[(3-methylimidazol-4-yl)methyl]pent-3-yn-1-ol?
The InChIKey is DEGRYOIIGZOTEY-VIFPVBQESA-N. The full InChI is InChI=1S/C10H14N2O/c1-3-4-9(7-13)5-10-6-11-8-12(10)2/h6,8-9,13H,5,7H2,1-2H3/t9-/m0/s1.
What are the key properties of (2R)-2-[(3-methylimidazol-4-yl)methyl]pent-3-yn-1-ol?
(2R)-2-[(3-methylimidazol-4-yl)methyl]pent-3-yn-1-ol has a molecular weight of 178.23 g/mol, XLogP of 0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3-methylimidazol-4-yl)methyl]pent-3-yn-1-ol is sourced from PubChem (CID 67909048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).