[(4E)-4-but-2-enylidene-5-methylidene-1H-imidazol-2-yl]methanamine

C9H13N3 — CID 123452172

IUPAC[(4E)-4-but-2-enylidene-5-methylidene-1H-imidazol-2-yl]methanamine
SMILESC=c1[nH]c(CN)n/c1=C/C=CC
InChIInChI=1S/C9H13N3/c1-3-4-5-8-7(2)11-9(6-10)12-8/h3-5H,2,6,10H2,1H3,(H,11,12)/b4-3?,8-5+
InChIKeyBZWRDIKNCGSUFR-JKAWOYHNSA-N
MW163.22 g/mol
LogP-0.36
Rot. Bonds2

About [(4E)-4-but-2-enylidene-5-methylidene-1H-imidazol-2-yl]methanamine

[(4E)-4-but-2-enylidene-5-methylidene-1H-imidazol-2-yl]methanamine (PubChem CID 123452172) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is [(4E)-4-but-2-enylidene-5-methylidene-1H-imidazol-2-yl]methanamine.

Molecular Properties

Compound Name[(4E)-4-but-2-enylidene-5-methylidene-1H-imidazol-2-yl]methanamine
PubChem CID123452172
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Name[(4E)-4-but-2-enylidene-5-methylidene-1H-imidazol-2-yl]methanamine
SMILESC=c1[nH]c(CN)n/c1=C/C=CC
InChIInChI=1S/C9H13N3/c1-3-4-5-8-7(2)11-9(6-10)12-8/h3-5H,2,6,10H2,1H3,(H,11,12)/b4-3?,8-5+
InChIKeyBZWRDIKNCGSUFR-JKAWOYHNSA-N
XLogP-0.36
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N'-[(E)-but-2-enyl]-N-[(2E,4Z)-4-fluorohexa-2,4-dien-2-yl]ethanimidamide
CID 126707495
(2E)-2-[(5E)-5-prop-2-enylidene-2-(trifluoromethyl)-1H-imidazol-4-ylidene]ethanamine
CID 162579662
2-[(1E,3E)-penta-1,3-dienyl]-4,5-dihydro-1H-imidazole
CID 21608210
2,3-bis(prop-1-enyl)-4,5-dihydro-1H-imidazol-3-ium
CID 57177363
2-Methyl-5-methylidene-1,4-dihydroimidazole
CID 58059446
2-Methyl-1,7-dihydrobenzimidazol-7-ide;yttrium
CID 59098032
(5Z,7Z)-2-methyl-9-methylidene-1,4-dihydro-1,3-diazonine
CID 68220253
(5E)-2-methyl-5-pent-4-enylidene-1,4-dihydroimidazole
CID 68273978
(5E)-5-[(2Z)-penta-2,4-dienylidene]-1,4-dihydroimidazole
CID 88228822
(E)-[(4E)-2-methyl-4-prop-2-enylidene-1H-imidazol-5-ylidene]methanamine
CID 88586966
[(4E,5E)-4-ethylidene-5-prop-2-enylidene-1H-imidazol-2-yl]methanamine
CID 88939569
(4E,5E)-4-but-2-enylidene-2-ethyl-5-prop-2-enylidene-1H-imidazole
CID 91464077

Frequently Asked Questions

What is the IUPAC name of [(4E)-4-but-2-enylidene-5-methylidene-1H-imidazol-2-yl]methanamine?
The IUPAC name of [(4E)-4-but-2-enylidene-5-methylidene-1H-imidazol-2-yl]methanamine (CID 123452172) is [(4E)-4-but-2-enylidene-5-methylidene-1H-imidazol-2-yl]methanamine.
What is the SMILES notation for [(4E)-4-but-2-enylidene-5-methylidene-1H-imidazol-2-yl]methanamine?
The canonical SMILES for [(4E)-4-but-2-enylidene-5-methylidene-1H-imidazol-2-yl]methanamine is C=c1[nH]c(CN)n/c1=C/C=CC.
What is the InChIKey of [(4E)-4-but-2-enylidene-5-methylidene-1H-imidazol-2-yl]methanamine?
The InChIKey is BZWRDIKNCGSUFR-JKAWOYHNSA-N. The full InChI is InChI=1S/C9H13N3/c1-3-4-5-8-7(2)11-9(6-10)12-8/h3-5H,2,6,10H2,1H3,(H,11,12)/b4-3?,8-5+.
What are the key properties of [(4E)-4-but-2-enylidene-5-methylidene-1H-imidazol-2-yl]methanamine?
[(4E)-4-but-2-enylidene-5-methylidene-1H-imidazol-2-yl]methanamine has a molecular weight of 163.22 g/mol, XLogP of -0.36, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(4E)-4-but-2-enylidene-5-methylidene-1H-imidazol-2-yl]methanamine is sourced from PubChem (CID 123452172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).