1-(3-ethenyl-2H-imidazol-1-yl)butan-1-ol

C9H16N2O — CID 175051206

IUPAC1-(3-ethenyl-2H-imidazol-1-yl)butan-1-ol
SMILESC=CN1C=CN(C(O)CCC)C1
InChIInChI=1S/C9H16N2O/c1-3-5-9(12)11-7-6-10(4-2)8-11/h4,6-7,9,12H,2-3,5,8H2,1H3
InChIKeyAMPJVNYURXTHPX-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.29
Rot. Bonds4

About 1-(3-ethenyl-2H-imidazol-1-yl)butan-1-ol

1-(3-ethenyl-2H-imidazol-1-yl)butan-1-ol (PubChem CID 175051206) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 1-(3-ethenyl-2H-imidazol-1-yl)butan-1-ol.

Molecular Properties

Compound Name1-(3-ethenyl-2H-imidazol-1-yl)butan-1-ol
PubChem CID175051206
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name1-(3-ethenyl-2H-imidazol-1-yl)butan-1-ol
SMILESC=CN1C=CN(C(O)CCC)C1
InChIInChI=1S/C9H16N2O/c1-3-5-9(12)11-7-6-10(4-2)8-11/h4,6-7,9,12H,2-3,5,8H2,1H3
InChIKeyAMPJVNYURXTHPX-UHFFFAOYSA-N
XLogP1.29
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethenyl-2H-imidazol-1-yl)butan-1-ol?
The IUPAC name of 1-(3-ethenyl-2H-imidazol-1-yl)butan-1-ol (CID 175051206) is 1-(3-ethenyl-2H-imidazol-1-yl)butan-1-ol.
What is the SMILES notation for 1-(3-ethenyl-2H-imidazol-1-yl)butan-1-ol?
The canonical SMILES for 1-(3-ethenyl-2H-imidazol-1-yl)butan-1-ol is C=CN1C=CN(C(O)CCC)C1.
What is the InChIKey of 1-(3-ethenyl-2H-imidazol-1-yl)butan-1-ol?
The InChIKey is AMPJVNYURXTHPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-3-5-9(12)11-7-6-10(4-2)8-11/h4,6-7,9,12H,2-3,5,8H2,1H3.
What are the key properties of 1-(3-ethenyl-2H-imidazol-1-yl)butan-1-ol?
1-(3-ethenyl-2H-imidazol-1-yl)butan-1-ol has a molecular weight of 168.24 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethenyl-2H-imidazol-1-yl)butan-1-ol is sourced from PubChem (CID 175051206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).