(E)-but-2-ene;ethane;5-methyl-4-[(Z)-prop-1-enyl]-1H-imidazole

C13H24N2 — CID 145381540

IUPAC(E)-but-2-ene;ethane;5-methyl-4-[(Z)-prop-1-enyl]-1H-imidazole
SMILESC/C=C/C.C/C=C\c1nc[nH]c1C.CC
InChIInChI=1S/C7H10N2.C4H8.C2H6/c1-3-4-7-6(2)8-5-9-7;1-3-4-2;1-2/h3-5H,1-2H3,(H,8,9);3-4H,1-2H3;1-2H3/b4-3-;4-3+;
InChIKeyLKSVTSCCJCLQKA-XYYYSBKPSA-N
MW208.35 g/mol
LogP4.36
Rot. Bonds1

About (E)-but-2-ene;ethane;5-methyl-4-[(Z)-prop-1-enyl]-1H-imidazole

(E)-but-2-ene;ethane;5-methyl-4-[(Z)-prop-1-enyl]-1H-imidazole (PubChem CID 145381540) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is (E)-but-2-ene;ethane;5-methyl-4-[(Z)-prop-1-enyl]-1H-imidazole.

Molecular Properties

Compound Name(E)-but-2-ene;ethane;5-methyl-4-[(Z)-prop-1-enyl]-1H-imidazole
PubChem CID145381540
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name(E)-but-2-ene;ethane;5-methyl-4-[(Z)-prop-1-enyl]-1H-imidazole
SMILESC/C=C/C.C/C=C\c1nc[nH]c1C.CC
InChIInChI=1S/C7H10N2.C4H8.C2H6/c1-3-4-7-6(2)8-5-9-7;1-3-4-2;1-2/h3-5H,1-2H3,(H,8,9);3-4H,1-2H3;1-2H3/b4-3-;4-3+;
InChIKeyLKSVTSCCJCLQKA-XYYYSBKPSA-N
XLogP4.36
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 (E)-but-2-ene;ethane;5-methyl-4-[(Z)-prop-1-enyl]-1H-imidazole?
The IUPAC name of (E)-but-2-ene;ethane;5-methyl-4-[(Z)-prop-1-enyl]-1H-imidazole (CID 145381540) is (E)-but-2-ene;ethane;5-methyl-4-[(Z)-prop-1-enyl]-1H-imidazole.
What is the SMILES notation for (E)-but-2-ene;ethane;5-methyl-4-[(Z)-prop-1-enyl]-1H-imidazole?
The canonical SMILES for (E)-but-2-ene;ethane;5-methyl-4-[(Z)-prop-1-enyl]-1H-imidazole is C/C=C/C.C/C=C\c1nc[nH]c1C.CC.
What is the InChIKey of (E)-but-2-ene;ethane;5-methyl-4-[(Z)-prop-1-enyl]-1H-imidazole?
The InChIKey is LKSVTSCCJCLQKA-XYYYSBKPSA-N. The full InChI is InChI=1S/C7H10N2.C4H8.C2H6/c1-3-4-7-6(2)8-5-9-7;1-3-4-2;1-2/h3-5H,1-2H3,(H,8,9);3-4H,1-2H3;1-2H3/b4-3-;4-3+;.
What are the key properties of (E)-but-2-ene;ethane;5-methyl-4-[(Z)-prop-1-enyl]-1H-imidazole?
(E)-but-2-ene;ethane;5-methyl-4-[(Z)-prop-1-enyl]-1H-imidazole has a molecular weight of 208.35 g/mol, XLogP of 4.36, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-but-2-ene;ethane;5-methyl-4-[(Z)-prop-1-enyl]-1H-imidazole is sourced from PubChem (CID 145381540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).