1-[(E)-hex-3-enyl]imidazole

C9H14N2 — CID 57339815

IUPAC1-[(E)-hex-3-enyl]imidazole
SMILESCC/C=C/CCn1ccnc1
InChIInChI=1S/C9H14N2/c1-2-3-4-5-7-11-8-6-10-9-11/h3-4,6,8-9H,2,5,7H2,1H3/b4-3+
InChIKeyJYFNJHBGSTWWGC-ONEGZZNKSA-N
MW150.22 g/mol
LogP2.24
Rot. Bonds4

About 1-[(E)-hex-3-enyl]imidazole

1-[(E)-hex-3-enyl]imidazole (PubChem CID 57339815) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 1-[(E)-hex-3-enyl]imidazole.

Molecular Properties

Compound Name1-[(E)-hex-3-enyl]imidazole
PubChem CID57339815
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name1-[(E)-hex-3-enyl]imidazole
SMILESCC/C=C/CCn1ccnc1
InChIInChI=1S/C9H14N2/c1-2-3-4-5-7-11-8-6-10-9-11/h3-4,6,8-9H,2,5,7H2,1H3/b4-3+
InChIKeyJYFNJHBGSTWWGC-ONEGZZNKSA-N
XLogP2.24
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.24
H-Bond Donors ≤ 50
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-[(E)-hex-3-enyl]imidazole?
The IUPAC name of 1-[(E)-hex-3-enyl]imidazole (CID 57339815) is 1-[(E)-hex-3-enyl]imidazole.
What is the SMILES notation for 1-[(E)-hex-3-enyl]imidazole?
The canonical SMILES for 1-[(E)-hex-3-enyl]imidazole is CC/C=C/CCn1ccnc1.
What is the InChIKey of 1-[(E)-hex-3-enyl]imidazole?
The InChIKey is JYFNJHBGSTWWGC-ONEGZZNKSA-N. The full InChI is InChI=1S/C9H14N2/c1-2-3-4-5-7-11-8-6-10-9-11/h3-4,6,8-9H,2,5,7H2,1H3/b4-3+.
What are the key properties of 1-[(E)-hex-3-enyl]imidazole?
1-[(E)-hex-3-enyl]imidazole has a molecular weight of 150.22 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-hex-3-enyl]imidazole is sourced from PubChem (CID 57339815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).