1-ethyl-4-methylidene-5-prop-2-enylideneimidazole

C9H12N2 — CID 123739949

IUPAC1-ethyl-4-methylidene-5-prop-2-enylideneimidazole
SMILESC=CC=c1c(=C)ncn1CC
InChIInChI=1S/C9H12N2/c1-4-6-9-8(3)10-7-11(9)5-2/h4,6-7H,1,3,5H2,2H3
InChIKeyCBPNPXOGFCCGMV-UHFFFAOYSA-N
MW148.21 g/mol
LogP0.28
Rot. Bonds2

About 1-ethyl-4-methylidene-5-prop-2-enylideneimidazole

1-ethyl-4-methylidene-5-prop-2-enylideneimidazole (PubChem CID 123739949) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is 1-ethyl-4-methylidene-5-prop-2-enylideneimidazole.

Molecular Properties

Compound Name1-ethyl-4-methylidene-5-prop-2-enylideneimidazole
PubChem CID123739949
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name1-ethyl-4-methylidene-5-prop-2-enylideneimidazole
SMILESC=CC=c1c(=C)ncn1CC
InChIInChI=1S/C9H12N2/c1-4-6-9-8(3)10-7-11(9)5-2/h4,6-7H,1,3,5H2,2H3
InChIKeyCBPNPXOGFCCGMV-UHFFFAOYSA-N
XLogP0.28
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 50.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Ethyl-5-(1-fluoroprop-2-enylidene)-4-methylideneimidazole
CID 124012782
2-[(5E)-5-[(E)-2-fluorobut-2-enylidene]-4-methylideneimidazol-1-yl]acetonitrile
CID 134239602
(5E)-5-[(2E)-2-fluoropenta-2,4-dienylidene]-4H-imidazole-3-carbonitrile
CID 138535077
2-[(4E)-4-[(E)-2-fluorobut-2-enylidene]-5-methylideneimidazol-1-yl]acetonitrile
CID 138535224
1-[(E)-but-2-en-2-yl]-4,5-dihydroimidazole
CID 23175353
2-Methyl-1-phenyl-4,5-dihydroimidazole;tungsten
CID 58914513
2-Bromo-1-phenyl-4,5-dihydroimidazole;tungsten
CID 58914527
1-methyl-4H-benzimidazol-4-ide;yttrium
CID 59098102
1-(4-methylpiperazin-1-yl)-N-phenylmethanimine;yttrium
CID 59362093
1-But-2-en-2-yl-4,5-dihydroimidazole
CID 67796429
(5Z,7Z)-3-methyl-9-methylidene-4H-1,3-diazonine
CID 68215782
4-Butylimidazo[1,5-a]pyridin-4-ium
CID 68830232

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-methylidene-5-prop-2-enylideneimidazole?
The IUPAC name of 1-ethyl-4-methylidene-5-prop-2-enylideneimidazole (CID 123739949) is 1-ethyl-4-methylidene-5-prop-2-enylideneimidazole.
What is the SMILES notation for 1-ethyl-4-methylidene-5-prop-2-enylideneimidazole?
The canonical SMILES for 1-ethyl-4-methylidene-5-prop-2-enylideneimidazole is C=CC=c1c(=C)ncn1CC.
What is the InChIKey of 1-ethyl-4-methylidene-5-prop-2-enylideneimidazole?
The InChIKey is CBPNPXOGFCCGMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2/c1-4-6-9-8(3)10-7-11(9)5-2/h4,6-7H,1,3,5H2,2H3.
What are the key properties of 1-ethyl-4-methylidene-5-prop-2-enylideneimidazole?
1-ethyl-4-methylidene-5-prop-2-enylideneimidazole has a molecular weight of 148.21 g/mol, XLogP of 0.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-methylidene-5-prop-2-enylideneimidazole is sourced from PubChem (CID 123739949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).