1-[(Z)-but-2-en-2-yl]-4,5-dihydroimidazole;ethane

C11H24N2 — CID 177314597

IUPAC1-[(Z)-but-2-en-2-yl]-4,5-dihydroimidazole;ethane
SMILESC/C=C(/C)N1C=NCC1.CC.CC
InChIInChI=1S/C7H12N2.2C2H6/c1-3-7(2)9-5-4-8-6-9;2*1-2/h3,6H,4-5H2,1-2H3;2*1-2H3/b7-3-;;
InChIKeyUFEPEHCNCJRANI-NAMRTZQUSA-N
MW184.33 g/mol
LogP3.31
Rot. Bonds1

About 1-[(Z)-but-2-en-2-yl]-4,5-dihydroimidazole;ethane

1-[(Z)-but-2-en-2-yl]-4,5-dihydroimidazole;ethane (PubChem CID 177314597) has the molecular formula C11H24N2 and a molecular weight of 184.33 g/mol. Its IUPAC name is 1-[(Z)-but-2-en-2-yl]-4,5-dihydroimidazole;ethane.

Molecular Properties

Compound Name1-[(Z)-but-2-en-2-yl]-4,5-dihydroimidazole;ethane
PubChem CID177314597
Molecular FormulaC11H24N2
Molecular Weight184.33 g/mol
Exact Mass184.19
IUPAC Name1-[(Z)-but-2-en-2-yl]-4,5-dihydroimidazole;ethane
SMILESC/C=C(/C)N1C=NCC1.CC.CC
InChIInChI=1S/C7H12N2.2C2H6/c1-3-7(2)9-5-4-8-6-9;2*1-2/h3,6H,4-5H2,1-2H3;2*1-2H3/b7-3-;;
InChIKeyUFEPEHCNCJRANI-NAMRTZQUSA-N
XLogP3.31
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.33
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Dimethylaminomethyleneamino-3-dimethylaminopropene
CID 129800192
1-Prop-1-en-2-yl-4,5-dihydroimidazole
CID 12159152
1-[(E)-but-2-en-2-yl]-4,5-dihydroimidazole
CID 23175353
1-But-2-en-2-yl-4,5-dihydroimidazole
CID 67796429
1-methyl-5-methylidene-4H-imidazole
CID 67978393
3-but-2-en-2-yl-4,5-dihydro-1H-imidazol-3-ium
CID 91185648
3-butan-2-yl-4-methyl-5-methylidene-4H-imidazole
CID 91189446
N-[3-(5-ethylidene-3-methylimidazol-4-ylidene)prop-1-en-2-yl]-N-methylbut-2-en-2-amine
CID 123218601
1-Ethyl-4-methylidene-5-prop-2-enylideneimidazole
CID 123739949
1-ethyl-5-ethylidene-2-methyl-4H-imidazole
CID 123973005
1,6-dimethyl-4H-pyrimidine;ethane
CID 142350108
1-[(3E)-hexa-1,3,5-trien-3-yl]-4,5-dihydroimidazole
CID 142936856

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-but-2-en-2-yl]-4,5-dihydroimidazole;ethane?
The IUPAC name of 1-[(Z)-but-2-en-2-yl]-4,5-dihydroimidazole;ethane (CID 177314597) is 1-[(Z)-but-2-en-2-yl]-4,5-dihydroimidazole;ethane.
What is the SMILES notation for 1-[(Z)-but-2-en-2-yl]-4,5-dihydroimidazole;ethane?
The canonical SMILES for 1-[(Z)-but-2-en-2-yl]-4,5-dihydroimidazole;ethane is C/C=C(/C)N1C=NCC1.CC.CC.
What is the InChIKey of 1-[(Z)-but-2-en-2-yl]-4,5-dihydroimidazole;ethane?
The InChIKey is UFEPEHCNCJRANI-NAMRTZQUSA-N. The full InChI is InChI=1S/C7H12N2.2C2H6/c1-3-7(2)9-5-4-8-6-9;2*1-2/h3,6H,4-5H2,1-2H3;2*1-2H3/b7-3-;;.
What are the key properties of 1-[(Z)-but-2-en-2-yl]-4,5-dihydroimidazole;ethane?
1-[(Z)-but-2-en-2-yl]-4,5-dihydroimidazole;ethane has a molecular weight of 184.33 g/mol, XLogP of 3.31, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-but-2-en-2-yl]-4,5-dihydroimidazole;ethane is sourced from PubChem (CID 177314597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).