4,5-dihydro-1H-imidazole;non-1-ene

C12H24N2 — CID 122452842

IUPAC4,5-dihydro-1H-imidazole;non-1-ene
SMILESC1=NCCN1.C=CCCCCCCC
InChIInChI=1S/C9H18.C3H6N2/c1-3-5-7-9-8-6-4-2;1-2-5-3-4-1/h3H,1,4-9H2,2H3;3H,1-2H2,(H,4,5)
InChIKeyPTIPTJLHCXNHSL-UHFFFAOYSA-N
MW196.34 g/mol
LogP3.15
Rot. Bonds6

About 4,5-dihydro-1H-imidazole;non-1-ene

4,5-dihydro-1H-imidazole;non-1-ene (PubChem CID 122452842) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 4,5-dihydro-1H-imidazole;non-1-ene.

Molecular Properties

Compound Name4,5-dihydro-1H-imidazole;non-1-ene
PubChem CID122452842
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name4,5-dihydro-1H-imidazole;non-1-ene
SMILESC1=NCCN1.C=CCCCCCCC
InChIInChI=1S/C9H18.C3H6N2/c1-3-5-7-9-8-6-4-2;1-2-5-3-4-1/h3H,1,4-9H2,2H3;3H,1-2H2,(H,4,5)
InChIKeyPTIPTJLHCXNHSL-UHFFFAOYSA-N
XLogP3.15
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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;non-1-ene?
The IUPAC name of 4,5-dihydro-1H-imidazole;non-1-ene (CID 122452842) is 4,5-dihydro-1H-imidazole;non-1-ene.
What is the SMILES notation for 4,5-dihydro-1H-imidazole;non-1-ene?
The canonical SMILES for 4,5-dihydro-1H-imidazole;non-1-ene is C1=NCCN1.C=CCCCCCCC.
What is the InChIKey of 4,5-dihydro-1H-imidazole;non-1-ene?
The InChIKey is PTIPTJLHCXNHSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18.C3H6N2/c1-3-5-7-9-8-6-4-2;1-2-5-3-4-1/h3H,1,4-9H2,2H3;3H,1-2H2,(H,4,5).
What are the key properties of 4,5-dihydro-1H-imidazole;non-1-ene?
4,5-dihydro-1H-imidazole;non-1-ene has a molecular weight of 196.34 g/mol, XLogP of 3.15, 6 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;non-1-ene is sourced from PubChem (CID 122452842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).