ethane;1-ethenyl-5-propan-2-yl-2-[(Z)-prop-1-enyl]imidazole

C13H22N2 — CID 169268606

IUPACethane;1-ethenyl-5-propan-2-yl-2-[(Z)-prop-1-enyl]imidazole
SMILESC=Cn1c(C(C)C)cnc1/C=C\C.CC
InChIInChI=1S/C11H16N2.C2H6/c1-5-7-11-12-8-10(9(3)4)13(11)6-2;1-2/h5-9H,2H2,1,3-4H3;1-2H3/b7-5-;
InChIKeySZOVHGITZZQJCH-YJOCEBFMSA-N
MW206.33 g/mol
LogP4.17
Rot. Bonds3

About ethane;1-ethenyl-5-propan-2-yl-2-[(Z)-prop-1-enyl]imidazole

ethane;1-ethenyl-5-propan-2-yl-2-[(Z)-prop-1-enyl]imidazole (PubChem CID 169268606) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is ethane;1-ethenyl-5-propan-2-yl-2-[(Z)-prop-1-enyl]imidazole.

Molecular Properties

Compound Nameethane;1-ethenyl-5-propan-2-yl-2-[(Z)-prop-1-enyl]imidazole
PubChem CID169268606
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Nameethane;1-ethenyl-5-propan-2-yl-2-[(Z)-prop-1-enyl]imidazole
SMILESC=Cn1c(C(C)C)cnc1/C=C\C.CC
InChIInChI=1S/C11H16N2.C2H6/c1-5-7-11-12-8-10(9(3)4)13(11)6-2;1-2/h5-9H,2H2,1,3-4H3;1-2H3/b7-5-;
InChIKeySZOVHGITZZQJCH-YJOCEBFMSA-N
XLogP4.17
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[5-propan-2-yl-2-[(Z)-prop-1-enyl]imidazol-1-yl]methanimine
CID 177189462
N-(2-ethenyl-5-propan-2-ylimidazol-1-yl)methanimine
CID 176690534
1-ethenyl-5-[(Z)-prop-1-enyl]imidazol-2-amine
CID 118448154
ethane;4-ethenyl-3-[(Z)-prop-1-enyl]-1,2,4-triazole
CID 167479269
ethane;2-ethenyl-3-[(Z)-prop-1-enyl]imidazol-4-amine
CID 144934481
ethane;2-ethenyl-5-propan-2-yl-3-[(Z)-prop-1-enyl]pyridine
CID 178008358
2,5-di(propan-2-yl)imidazol-1-amine
CID 126670780
N-[2-[(1Z)-buta-1,3-dienyl]-3-ethenylimidazol-4-yl]formamide
CID 134266957
6-tert-butyl-1-ethenyl-2-propan-2-ylindole
CID 139475210
2-(2-chloroprop-1-enyl)-1-ethenyl-5-methylimidazole
CID 91182600
3,7-di(propan-2-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 176646471
4-[(E)-2-(1-ethenyl-5-nitroimidazol-2-yl)ethenyl]-N-propan-2-ylbenzamide
CID 6149696

Frequently Asked Questions

What is the IUPAC name of ethane;1-ethenyl-5-propan-2-yl-2-[(Z)-prop-1-enyl]imidazole?
The IUPAC name of ethane;1-ethenyl-5-propan-2-yl-2-[(Z)-prop-1-enyl]imidazole (CID 169268606) is ethane;1-ethenyl-5-propan-2-yl-2-[(Z)-prop-1-enyl]imidazole.
What is the SMILES notation for ethane;1-ethenyl-5-propan-2-yl-2-[(Z)-prop-1-enyl]imidazole?
The canonical SMILES for ethane;1-ethenyl-5-propan-2-yl-2-[(Z)-prop-1-enyl]imidazole is C=Cn1c(C(C)C)cnc1/C=C\C.CC.
What is the InChIKey of ethane;1-ethenyl-5-propan-2-yl-2-[(Z)-prop-1-enyl]imidazole?
The InChIKey is SZOVHGITZZQJCH-YJOCEBFMSA-N. The full InChI is InChI=1S/C11H16N2.C2H6/c1-5-7-11-12-8-10(9(3)4)13(11)6-2;1-2/h5-9H,2H2,1,3-4H3;1-2H3/b7-5-;.
What are the key properties of ethane;1-ethenyl-5-propan-2-yl-2-[(Z)-prop-1-enyl]imidazole?
ethane;1-ethenyl-5-propan-2-yl-2-[(Z)-prop-1-enyl]imidazole has a molecular weight of 206.33 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethenyl-5-propan-2-yl-2-[(Z)-prop-1-enyl]imidazole is sourced from PubChem (CID 169268606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).