1-[(Z)-but-1-enyl]-5-methylimidazole

C8H12N2 — CID 163229239

IUPAC1-[(Z)-but-1-enyl]-5-methylimidazole
SMILESCC/C=C\n1cncc1C
InChIInChI=1S/C8H12N2/c1-3-4-5-10-7-9-6-8(10)2/h4-7H,3H2,1-2H3/b5-4-
InChIKeyVTTHOTAKOMLGMM-PLNGDYQASA-N
MW136.20 g/mol
LogP2.07
Rot. Bonds2

About 1-[(Z)-but-1-enyl]-5-methylimidazole

1-[(Z)-but-1-enyl]-5-methylimidazole (PubChem CID 163229239) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 1-[(Z)-but-1-enyl]-5-methylimidazole.

Molecular Properties

Compound Name1-[(Z)-but-1-enyl]-5-methylimidazole
PubChem CID163229239
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name1-[(Z)-but-1-enyl]-5-methylimidazole
SMILESCC/C=C\n1cncc1C
InChIInChI=1S/C8H12N2/c1-3-4-5-10-7-9-6-8(10)2/h4-7H,3H2,1-2H3/b5-4-
InChIKeyVTTHOTAKOMLGMM-PLNGDYQASA-N
XLogP2.07
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-but-1-enyl]-5-methylimidazole?
The IUPAC name of 1-[(Z)-but-1-enyl]-5-methylimidazole (CID 163229239) is 1-[(Z)-but-1-enyl]-5-methylimidazole.
What is the SMILES notation for 1-[(Z)-but-1-enyl]-5-methylimidazole?
The canonical SMILES for 1-[(Z)-but-1-enyl]-5-methylimidazole is CC/C=C\n1cncc1C.
What is the InChIKey of 1-[(Z)-but-1-enyl]-5-methylimidazole?
The InChIKey is VTTHOTAKOMLGMM-PLNGDYQASA-N. The full InChI is InChI=1S/C8H12N2/c1-3-4-5-10-7-9-6-8(10)2/h4-7H,3H2,1-2H3/b5-4-.
What are the key properties of 1-[(Z)-but-1-enyl]-5-methylimidazole?
1-[(Z)-but-1-enyl]-5-methylimidazole has a molecular weight of 136.20 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-but-1-enyl]-5-methylimidazole is sourced from PubChem (CID 163229239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).