(5E)-1-methyl-4-methylidene-5-prop-2-enylideneimidazol-2-amine

C8H11N3 — CID 169248178

IUPAC(5E)-1-methyl-4-methylidene-5-prop-2-enylideneimidazol-2-amine
SMILESC=C/C=c1\c(=C)nc(N)n1C
InChIInChI=1S/C8H11N3/c1-4-5-7-6(2)10-8(9)11(7)3/h4-5H,1-2H2,3H3,(H2,9,10)/b7-5+
InChIKeyPHYOGASFLWIAHN-FNORWQNLSA-N
MW149.20 g/mol
LogP-0.62
Rot. Bonds1

About (5E)-1-methyl-4-methylidene-5-prop-2-enylideneimidazol-2-amine

(5E)-1-methyl-4-methylidene-5-prop-2-enylideneimidazol-2-amine (PubChem CID 169248178) has the molecular formula C8H11N3 and a molecular weight of 149.20 g/mol. Its IUPAC name is (5E)-1-methyl-4-methylidene-5-prop-2-enylideneimidazol-2-amine.

Molecular Properties

Compound Name(5E)-1-methyl-4-methylidene-5-prop-2-enylideneimidazol-2-amine
PubChem CID169248178
Molecular FormulaC8H11N3
Molecular Weight149.20 g/mol
Exact Mass149.10
IUPAC Name(5E)-1-methyl-4-methylidene-5-prop-2-enylideneimidazol-2-amine
SMILESC=C/C=c1\c(=C)nc(N)n1C
InChIInChI=1S/C8H11N3/c1-4-5-7-6(2)10-8(9)11(7)3/h4-5H,1-2H2,3H3,(H2,9,10)/b7-5+
InChIKeyPHYOGASFLWIAHN-FNORWQNLSA-N
XLogP-0.62
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.20
LogP ≤ 5-0.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4Z)-4-(1-fluoroprop-2-enylidene)-N,1-dimethyl-5-methylideneimidazol-2-amine
CID 170019176
(4Z)-4-(1-fluoroprop-2-enylidene)-1-methyl-5-methylideneimidazol-2-amine
CID 170019178
1-methyl-4H-benzimidazol-4-id-2-amine;yttrium
CID 58110868
1-Phenyl-4,5-dihydroimidazol-2-amine;tungsten
CID 58914499
(4E)-4-[(Z)-but-2-enylidene]-5-methylidene-1H-imidazole
CID 88244269
1,1-diethyl-2-[(2Z)-penta-2,4-dien-2-yl]guanidine
CID 89170026
1-[2-(dimethylamino)ethyl]-1-methyl-2-[(2Z)-penta-2,4-dien-2-yl]guanidine
CID 89170037
1-methyl-2-[(2Z)-penta-2,4-dien-2-yl]-1-propan-2-ylguanidine
CID 89170050
1-ethyl-1-methyl-2-[(2Z)-penta-2,4-dien-2-yl]guanidine
CID 89170466
3-methyl-5-methylidene-4H-imidazol-2-amine
CID 89956686
(4E,5E)-4,5-di(ethylidene)-1H-imidazol-2-amine
CID 90836383
(4E,5E)-4-ethylidene-5-prop-2-enylidene-1H-imidazole
CID 123668500

Frequently Asked Questions

What is the IUPAC name of (5E)-1-methyl-4-methylidene-5-prop-2-enylideneimidazol-2-amine?
The IUPAC name of (5E)-1-methyl-4-methylidene-5-prop-2-enylideneimidazol-2-amine (CID 169248178) is (5E)-1-methyl-4-methylidene-5-prop-2-enylideneimidazol-2-amine.
What is the SMILES notation for (5E)-1-methyl-4-methylidene-5-prop-2-enylideneimidazol-2-amine?
The canonical SMILES for (5E)-1-methyl-4-methylidene-5-prop-2-enylideneimidazol-2-amine is C=C/C=c1\c(=C)nc(N)n1C.
What is the InChIKey of (5E)-1-methyl-4-methylidene-5-prop-2-enylideneimidazol-2-amine?
The InChIKey is PHYOGASFLWIAHN-FNORWQNLSA-N. The full InChI is InChI=1S/C8H11N3/c1-4-5-7-6(2)10-8(9)11(7)3/h4-5H,1-2H2,3H3,(H2,9,10)/b7-5+.
What are the key properties of (5E)-1-methyl-4-methylidene-5-prop-2-enylideneimidazol-2-amine?
(5E)-1-methyl-4-methylidene-5-prop-2-enylideneimidazol-2-amine has a molecular weight of 149.20 g/mol, XLogP of -0.62, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-1-methyl-4-methylidene-5-prop-2-enylideneimidazol-2-amine is sourced from PubChem (CID 169248178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).