1-ethenyl-2-prop-2-enyl-4,5-dihydroimidazole

C8H12N2 — CID 66693205

IUPAC1-ethenyl-2-prop-2-enyl-4,5-dihydroimidazole
SMILESC=CCC1=NCCN1C=C
InChIInChI=1S/C8H12N2/c1-3-5-8-9-6-7-10(8)4-2/h3-4H,1-2,5-7H2
InChIKeyGNBXXTFWUDDHFQ-UHFFFAOYSA-N
MW136.20 g/mol
LogP1.42
Rot. Bonds3

About 1-ethenyl-2-prop-2-enyl-4,5-dihydroimidazole

1-ethenyl-2-prop-2-enyl-4,5-dihydroimidazole (PubChem CID 66693205) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 1-ethenyl-2-prop-2-enyl-4,5-dihydroimidazole.

Molecular Properties

Compound Name1-ethenyl-2-prop-2-enyl-4,5-dihydroimidazole
PubChem CID66693205
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name1-ethenyl-2-prop-2-enyl-4,5-dihydroimidazole
SMILESC=CCC1=NCCN1C=C
InChIInChI=1S/C8H12N2/c1-3-5-8-9-6-7-10(8)4-2/h3-4H,1-2,5-7H2
InChIKeyGNBXXTFWUDDHFQ-UHFFFAOYSA-N
XLogP1.42
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 51.42
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-ethenyl-2-prop-2-enyl-4,5-dihydroimidazole?
The IUPAC name of 1-ethenyl-2-prop-2-enyl-4,5-dihydroimidazole (CID 66693205) is 1-ethenyl-2-prop-2-enyl-4,5-dihydroimidazole.
What is the SMILES notation for 1-ethenyl-2-prop-2-enyl-4,5-dihydroimidazole?
The canonical SMILES for 1-ethenyl-2-prop-2-enyl-4,5-dihydroimidazole is C=CCC1=NCCN1C=C.
What is the InChIKey of 1-ethenyl-2-prop-2-enyl-4,5-dihydroimidazole?
The InChIKey is GNBXXTFWUDDHFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c1-3-5-8-9-6-7-10(8)4-2/h3-4H,1-2,5-7H2.
What are the key properties of 1-ethenyl-2-prop-2-enyl-4,5-dihydroimidazole?
1-ethenyl-2-prop-2-enyl-4,5-dihydroimidazole has a molecular weight of 136.20 g/mol, XLogP of 1.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-2-prop-2-enyl-4,5-dihydroimidazole is sourced from PubChem (CID 66693205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).