1-(1H-imidazol-2-yl)-4-methylpent-4-en-1-ol

C9H14N2O — CID 114473977

IUPAC1-(1H-imidazol-2-yl)-4-methylpent-4-en-1-ol
SMILESC=C(C)CCC(O)c1ncc[nH]1
InChIInChI=1S/C9H14N2O/c1-7(2)3-4-8(12)9-10-5-6-11-9/h5-6,8,12H,1,3-4H2,2H3,(H,10,11)
InChIKeyMCUQUPUAWPKHKP-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.80
Rot. Bonds4

About 1-(1H-imidazol-2-yl)-4-methylpent-4-en-1-ol

1-(1H-imidazol-2-yl)-4-methylpent-4-en-1-ol (PubChem CID 114473977) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 1-(1H-imidazol-2-yl)-4-methylpent-4-en-1-ol.

Molecular Properties

Compound Name1-(1H-imidazol-2-yl)-4-methylpent-4-en-1-ol
PubChem CID114473977
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name1-(1H-imidazol-2-yl)-4-methylpent-4-en-1-ol
SMILESC=C(C)CCC(O)c1ncc[nH]1
InChIInChI=1S/C9H14N2O/c1-7(2)3-4-8(12)9-10-5-6-11-9/h5-6,8,12H,1,3-4H2,2H3,(H,10,11)
InChIKeyMCUQUPUAWPKHKP-UHFFFAOYSA-N
XLogP1.80
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-2-yl)-4-methylpent-4-en-1-ol?
The IUPAC name of 1-(1H-imidazol-2-yl)-4-methylpent-4-en-1-ol (CID 114473977) is 1-(1H-imidazol-2-yl)-4-methylpent-4-en-1-ol.
What is the SMILES notation for 1-(1H-imidazol-2-yl)-4-methylpent-4-en-1-ol?
The canonical SMILES for 1-(1H-imidazol-2-yl)-4-methylpent-4-en-1-ol is C=C(C)CCC(O)c1ncc[nH]1.
What is the InChIKey of 1-(1H-imidazol-2-yl)-4-methylpent-4-en-1-ol?
The InChIKey is MCUQUPUAWPKHKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-7(2)3-4-8(12)9-10-5-6-11-9/h5-6,8,12H,1,3-4H2,2H3,(H,10,11).
What are the key properties of 1-(1H-imidazol-2-yl)-4-methylpent-4-en-1-ol?
1-(1H-imidazol-2-yl)-4-methylpent-4-en-1-ol has a molecular weight of 166.22 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-2-yl)-4-methylpent-4-en-1-ol is sourced from PubChem (CID 114473977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).