2-[(3E)-penta-1,3-dien-3-yl]-4,5-dihydro-1H-imidazole

C8H12N2 — CID 142843949

IUPAC2-[(3E)-penta-1,3-dien-3-yl]-4,5-dihydro-1H-imidazole
SMILESC=C/C(=C\C)C1=NCCN1
InChIInChI=1S/C8H12N2/c1-3-7(4-2)8-9-5-6-10-8/h3-4H,1,5-6H2,2H3,(H,9,10)/b7-4+
InChIKeyOJPHIFYMRSENNJ-QPJJXVBHSA-N
MW136.20 g/mol
LogP1.12
Rot. Bonds2

About 2-[(3E)-penta-1,3-dien-3-yl]-4,5-dihydro-1H-imidazole

2-[(3E)-penta-1,3-dien-3-yl]-4,5-dihydro-1H-imidazole (PubChem CID 142843949) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 2-[(3E)-penta-1,3-dien-3-yl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-[(3E)-penta-1,3-dien-3-yl]-4,5-dihydro-1H-imidazole
PubChem CID142843949
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name2-[(3E)-penta-1,3-dien-3-yl]-4,5-dihydro-1H-imidazole
SMILESC=C/C(=C\C)C1=NCCN1
InChIInChI=1S/C8H12N2/c1-3-7(4-2)8-9-5-6-10-8/h3-4H,1,5-6H2,2H3,(H,9,10)/b7-4+
InChIKeyOJPHIFYMRSENNJ-QPJJXVBHSA-N
XLogP1.12
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(1E,3E)-penta-1,3-dienyl]-4,5-dihydro-1H-imidazole
CID 21608210
2-cyclohexa-1,3-dien-1-yl-4,5-dihydro-1H-imidazole
CID 20467551
2-penta-1,3-dien-3-yl-4,5-dihydro-1H-imidazole
CID 54153772
2-(4-methylpenta-1,3-dien-2-yl)-4,5-dihydro-1H-imidazole
CID 90077005
2-[(5Z,7Z)-2-[(3Z)-penta-1,3-dien-2-yl]-4,9-dihydro-1H-1,3-diazonin-5-yl]prop-2-en-1-amine
CID 118186576
2-(4-methylcyclohexa-1,3-dien-1-yl)-4,5-dihydro-1H-imidazole
CID 123159780
2-prop-1-en-2-yl-3a,7a-dihydro-1H-benzimidazole
CID 123201696
(3Z)-N-methyl-3-prop-2-enylidene-1H-pyrrol-2-imine
CID 136437877
5-ethenyl-N-methyl-2,3-dihydro-1H-pyridin-6-imine
CID 136489670
(3Z)-N-ethenyl-3-ethylidenepyrrol-2-amine
CID 137494238
2-[(2E,4Z)-2-methylhepta-2,4-dienyl]-4,5-dihydro-1H-imidazole;molecular hydrogen
CID 142160651
(3Z)-N-ethyl-3-ethylidene-1H-pyrrol-2-imine;molecular hydrogen
CID 142336110

Frequently Asked Questions

What is the IUPAC name of 2-[(3E)-penta-1,3-dien-3-yl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-[(3E)-penta-1,3-dien-3-yl]-4,5-dihydro-1H-imidazole (CID 142843949) is 2-[(3E)-penta-1,3-dien-3-yl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-[(3E)-penta-1,3-dien-3-yl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-[(3E)-penta-1,3-dien-3-yl]-4,5-dihydro-1H-imidazole is C=C/C(=C\C)C1=NCCN1.
What is the InChIKey of 2-[(3E)-penta-1,3-dien-3-yl]-4,5-dihydro-1H-imidazole?
The InChIKey is OJPHIFYMRSENNJ-QPJJXVBHSA-N. The full InChI is InChI=1S/C8H12N2/c1-3-7(4-2)8-9-5-6-10-8/h3-4H,1,5-6H2,2H3,(H,9,10)/b7-4+.
What are the key properties of 2-[(3E)-penta-1,3-dien-3-yl]-4,5-dihydro-1H-imidazole?
2-[(3E)-penta-1,3-dien-3-yl]-4,5-dihydro-1H-imidazole has a molecular weight of 136.20 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3E)-penta-1,3-dien-3-yl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 142843949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).