1H-imidazole;non-1-ene

C12H22N2 — CID 118472406

IUPAC1H-imidazole;non-1-ene
SMILESC=CCCCCCCC.c1c[nH]cn1
InChIInChI=1S/C9H18.C3H4N2/c1-3-5-7-9-8-6-4-2;1-2-5-3-4-1/h3H,1,4-9H2,2H3;1-3H,(H,4,5)
InChIKeyISKUDVMHBSBZFP-UHFFFAOYSA-N
MW194.32 g/mol
LogP3.94
Rot. Bonds6

About 1H-imidazole;non-1-ene

1H-imidazole;non-1-ene (PubChem CID 118472406) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 1H-imidazole;non-1-ene.

Molecular Properties

Compound Name1H-imidazole;non-1-ene
PubChem CID118472406
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name1H-imidazole;non-1-ene
SMILESC=CCCCCCCC.c1c[nH]cn1
InChIInChI=1S/C9H18.C3H4N2/c1-3-5-7-9-8-6-4-2;1-2-5-3-4-1/h3H,1,4-9H2,2H3;1-3H,(H,4,5)
InChIKeyISKUDVMHBSBZFP-UHFFFAOYSA-N
XLogP3.94
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(hex-5-enylamino) hexanoate;1H-imidazole
CID 175490115
non-1-ene
CID 141296734
hexane;octadec-1-ene
CID 175577514
octadeca-1,17-diene;tetradec-1-ene
CID 173070986
octadec-1-ene;tetradec-1-ene
CID 158470925
dec-1-ene;dodec-1-ene;tetradec-1-ene
CID 159177706
octadecane;octadec-1-ene
CID 162018238
dec-1-ene;ethene
CID 161044144
oct-1-ene;tetrahydrochloride
CID 172847494
oct-1-ene;hydrobromide
CID 88838560
dodec-1-ene;ethene
CID 158697165
butan-1-ol;1H-imidazole;hydrochloride
CID 173081881

Frequently Asked Questions

What is the IUPAC name of 1H-imidazole;non-1-ene?
The IUPAC name of 1H-imidazole;non-1-ene (CID 118472406) is 1H-imidazole;non-1-ene.
What is the SMILES notation for 1H-imidazole;non-1-ene?
The canonical SMILES for 1H-imidazole;non-1-ene is C=CCCCCCCC.c1c[nH]cn1.
What is the InChIKey of 1H-imidazole;non-1-ene?
The InChIKey is ISKUDVMHBSBZFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18.C3H4N2/c1-3-5-7-9-8-6-4-2;1-2-5-3-4-1/h3H,1,4-9H2,2H3;1-3H,(H,4,5).
What are the key properties of 1H-imidazole;non-1-ene?
1H-imidazole;non-1-ene has a molecular weight of 194.32 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-imidazole;non-1-ene is sourced from PubChem (CID 118472406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).