4,5-dihydro-1H-imidazole;penta-1,4-diene

C8H14N2 — CID 174420619

IUPAC4,5-dihydro-1H-imidazole;penta-1,4-diene
SMILESC1=NCCN1.C=CCC=C
InChIInChI=1S/C5H8.C3H6N2/c1-3-5-4-2;1-2-5-3-4-1/h3-4H,1-2,5H2;3H,1-2H2,(H,4,5)
InChIKeyBGNADJFOZHJINT-UHFFFAOYSA-N
MW138.21 g/mol
LogP1.37
Rot. Bonds2

About 4,5-dihydro-1H-imidazole;penta-1,4-diene

4,5-dihydro-1H-imidazole;penta-1,4-diene (PubChem CID 174420619) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 4,5-dihydro-1H-imidazole;penta-1,4-diene.

Molecular Properties

Compound Name4,5-dihydro-1H-imidazole;penta-1,4-diene
PubChem CID174420619
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name4,5-dihydro-1H-imidazole;penta-1,4-diene
SMILESC1=NCCN1.C=CCC=C
InChIInChI=1S/C5H8.C3H6N2/c1-3-5-4-2;1-2-5-3-4-1/h3-4H,1-2,5H2;3H,1-2H2,(H,4,5)
InChIKeyBGNADJFOZHJINT-UHFFFAOYSA-N
XLogP1.37
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.37
H-Bond Donors ≤ 51
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 4,5-dihydro-1H-imidazole;penta-1,4-diene?
The IUPAC name of 4,5-dihydro-1H-imidazole;penta-1,4-diene (CID 174420619) is 4,5-dihydro-1H-imidazole;penta-1,4-diene.
What is the SMILES notation for 4,5-dihydro-1H-imidazole;penta-1,4-diene?
The canonical SMILES for 4,5-dihydro-1H-imidazole;penta-1,4-diene is C1=NCCN1.C=CCC=C.
What is the InChIKey of 4,5-dihydro-1H-imidazole;penta-1,4-diene?
The InChIKey is BGNADJFOZHJINT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8.C3H6N2/c1-3-5-4-2;1-2-5-3-4-1/h3-4H,1-2,5H2;3H,1-2H2,(H,4,5).
What are the key properties of 4,5-dihydro-1H-imidazole;penta-1,4-diene?
4,5-dihydro-1H-imidazole;penta-1,4-diene has a molecular weight of 138.21 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydro-1H-imidazole;penta-1,4-diene is sourced from PubChem (CID 174420619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).