(4E)-4-but-3-en-2-ylidene-1-methyl-5-methylideneimidazole

C9H12N2 — CID 155711428

IUPAC(4E)-4-but-3-en-2-ylidene-1-methyl-5-methylideneimidazole
SMILESC=C/C(C)=c1/ncn(C)c1=C
InChIInChI=1S/C9H12N2/c1-5-7(2)9-8(3)11(4)6-10-9/h5-6H,1,3H2,2,4H3/b9-7+
InChIKeyAHSZMBPIJGOWCT-VQHVLOKHSA-N
MW148.21 g/mol
LogP0.19
Rot. Bonds1

About (4E)-4-but-3-en-2-ylidene-1-methyl-5-methylideneimidazole

(4E)-4-but-3-en-2-ylidene-1-methyl-5-methylideneimidazole (PubChem CID 155711428) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is (4E)-4-but-3-en-2-ylidene-1-methyl-5-methylideneimidazole.

Molecular Properties

Compound Name(4E)-4-but-3-en-2-ylidene-1-methyl-5-methylideneimidazole
PubChem CID155711428
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name(4E)-4-but-3-en-2-ylidene-1-methyl-5-methylideneimidazole
SMILESC=C/C(C)=c1/ncn(C)c1=C
InChIInChI=1S/C9H12N2/c1-5-7(2)9-8(3)11(4)6-10-9/h5-6H,1,3H2,2,4H3/b9-7+
InChIKeyAHSZMBPIJGOWCT-VQHVLOKHSA-N
XLogP0.19
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 50.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,7-dimethyl-5H-imidazo[4,5-b]pyridin-5-ide;yttrium
CID 59708824
3,7-dimethyl-5H-benzimidazol-5-ide;yttrium
CID 59708940
4-Ethenylidene-1-methyl-5-(3-methylbut-2-enylidene)imidazole
CID 123437116
5-Ethylidene-1-methyl-4-methylideneimidazole
CID 123678686
5-Ethylidene-1-methyl-4-pent-1-en-3-ylideneimidazole
CID 123704736
1-Ethyl-4-methylidene-5-prop-2-enylideneimidazole
CID 123739949
4-But-3-en-2-ylidene-5-ethylidene-1-methylimidazole
CID 123878865
5-(2-Chloro-3-methylpent-2-enylidene)-4-ethylidene-1-methylimidazole
CID 123991948
(4E,5E)-4-but-3-en-2-ylidene-5-ethylidene-1H-imidazole
CID 126757741
(4E,5E)-5-ethylidene-1-iodo-4-(4-methylpent-1-en-3-ylidene)imidazole
CID 126757787
(4E,5E)-4,5-di(ethylidene)-1-methylimidazole
CID 130427202
(4E,5E)-1-methyl-4,5-bis(prop-2-enylidene)imidazole
CID 130427315

Frequently Asked Questions

What is the IUPAC name of (4E)-4-but-3-en-2-ylidene-1-methyl-5-methylideneimidazole?
The IUPAC name of (4E)-4-but-3-en-2-ylidene-1-methyl-5-methylideneimidazole (CID 155711428) is (4E)-4-but-3-en-2-ylidene-1-methyl-5-methylideneimidazole.
What is the SMILES notation for (4E)-4-but-3-en-2-ylidene-1-methyl-5-methylideneimidazole?
The canonical SMILES for (4E)-4-but-3-en-2-ylidene-1-methyl-5-methylideneimidazole is C=C/C(C)=c1/ncn(C)c1=C.
What is the InChIKey of (4E)-4-but-3-en-2-ylidene-1-methyl-5-methylideneimidazole?
The InChIKey is AHSZMBPIJGOWCT-VQHVLOKHSA-N. The full InChI is InChI=1S/C9H12N2/c1-5-7(2)9-8(3)11(4)6-10-9/h5-6H,1,3H2,2,4H3/b9-7+.
What are the key properties of (4E)-4-but-3-en-2-ylidene-1-methyl-5-methylideneimidazole?
(4E)-4-but-3-en-2-ylidene-1-methyl-5-methylideneimidazole has a molecular weight of 148.21 g/mol, XLogP of 0.19, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-but-3-en-2-ylidene-1-methyl-5-methylideneimidazole is sourced from PubChem (CID 155711428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).