1-pent-1-en-3-ylimidazole;hydrochloride

C8H13ClN2 — CID 175258321

IUPAC1-pent-1-en-3-ylimidazole;hydrochloride
SMILESC=CC(CC)n1ccnc1.Cl
InChIInChI=1S/C8H12N2.ClH/c1-3-8(4-2)10-6-5-9-7-10;/h3,5-8H,1,4H2,2H3;1H
InChIKeyVTOIOCMOCRGNRX-UHFFFAOYSA-N
MW172.66 g/mol
LogP2.44
Rot. Bonds3

About 1-pent-1-en-3-ylimidazole;hydrochloride

1-pent-1-en-3-ylimidazole;hydrochloride (PubChem CID 175258321) has the molecular formula C8H13ClN2 and a molecular weight of 172.66 g/mol. Its IUPAC name is 1-pent-1-en-3-ylimidazole;hydrochloride.

Molecular Properties

Compound Name1-pent-1-en-3-ylimidazole;hydrochloride
PubChem CID175258321
Molecular FormulaC8H13ClN2
Molecular Weight172.66 g/mol
Exact Mass172.08
IUPAC Name1-pent-1-en-3-ylimidazole;hydrochloride
SMILESC=CC(CC)n1ccnc1.Cl
InChIInChI=1S/C8H12N2.ClH/c1-3-8(4-2)10-6-5-9-7-10;/h3,5-8H,1,4H2,2H3;1H
InChIKeyVTOIOCMOCRGNRX-UHFFFAOYSA-N
XLogP2.44
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.66
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methylhex-1-en-3-yl)imidazole
CID 174521319
1-hex-5-en-3-ylimidazole
CID 121330081
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CID 174620112
boric acid;1-but-3-en-2-ylimidazole
CID 174786632
CID 174987087
CID 174987087
1-hexan-3-ylimidazole
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1-O-ethyl 3-O-prop-2-enyl 2-imidazol-1-ylpropanedioate;hydrochloride
CID 174597253
1-[chloro(ethylsulfanyl)methyl]imidazole;hydrochloride
CID 67670241
1-heptan-3-ylimidazole;hydrobromide
CID 174803482
5-imidazol-1-ylhexan-3-amine
CID 122542899
1-imidazol-1-ylbutane-1-thiol
CID 135238655
1-(1-cyclopentylpropyl)imidazole
CID 174543958

Frequently Asked Questions

What is the IUPAC name of 1-pent-1-en-3-ylimidazole;hydrochloride?
The IUPAC name of 1-pent-1-en-3-ylimidazole;hydrochloride (CID 175258321) is 1-pent-1-en-3-ylimidazole;hydrochloride.
What is the SMILES notation for 1-pent-1-en-3-ylimidazole;hydrochloride?
The canonical SMILES for 1-pent-1-en-3-ylimidazole;hydrochloride is C=CC(CC)n1ccnc1.Cl.
What is the InChIKey of 1-pent-1-en-3-ylimidazole;hydrochloride?
The InChIKey is VTOIOCMOCRGNRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2.ClH/c1-3-8(4-2)10-6-5-9-7-10;/h3,5-8H,1,4H2,2H3;1H.
What are the key properties of 1-pent-1-en-3-ylimidazole;hydrochloride?
1-pent-1-en-3-ylimidazole;hydrochloride has a molecular weight of 172.66 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pent-1-en-3-ylimidazole;hydrochloride is sourced from PubChem (CID 175258321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).