[(4E,5E)-4-ethylidene-5-prop-2-enylidene-1H-imidazol-2-yl]methanamine

C9H13N3 — CID 88939569

IUPAC[(4E,5E)-4-ethylidene-5-prop-2-enylidene-1H-imidazol-2-yl]methanamine
SMILESC=C/C=c1/[nH]c(CN)n/c1=C/C
InChIInChI=1S/C9H13N3/c1-3-5-8-7(4-2)11-9(6-10)12-8/h3-5H,1,6,10H2,2H3,(H,11,12)/b7-4+,8-5+
InChIKeyLNKPUEROEYJRBJ-NSLJXJERSA-N
MW163.22 g/mol
LogP-0.36
Rot. Bonds2

About [(4E,5E)-4-ethylidene-5-prop-2-enylidene-1H-imidazol-2-yl]methanamine

[(4E,5E)-4-ethylidene-5-prop-2-enylidene-1H-imidazol-2-yl]methanamine (PubChem CID 88939569) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is [(4E,5E)-4-ethylidene-5-prop-2-enylidene-1H-imidazol-2-yl]methanamine.

Molecular Properties

Compound Name[(4E,5E)-4-ethylidene-5-prop-2-enylidene-1H-imidazol-2-yl]methanamine
PubChem CID88939569
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Name[(4E,5E)-4-ethylidene-5-prop-2-enylidene-1H-imidazol-2-yl]methanamine
SMILESC=C/C=c1/[nH]c(CN)n/c1=C/C
InChIInChI=1S/C9H13N3/c1-3-5-8-7(4-2)11-9(6-10)12-8/h3-5H,1,6,10H2,2H3,(H,11,12)/b7-4+,8-5+
InChIKeyLNKPUEROEYJRBJ-NSLJXJERSA-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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Frequently Asked Questions

What is the IUPAC name of [(4E,5E)-4-ethylidene-5-prop-2-enylidene-1H-imidazol-2-yl]methanamine?
The IUPAC name of [(4E,5E)-4-ethylidene-5-prop-2-enylidene-1H-imidazol-2-yl]methanamine (CID 88939569) is [(4E,5E)-4-ethylidene-5-prop-2-enylidene-1H-imidazol-2-yl]methanamine.
What is the SMILES notation for [(4E,5E)-4-ethylidene-5-prop-2-enylidene-1H-imidazol-2-yl]methanamine?
The canonical SMILES for [(4E,5E)-4-ethylidene-5-prop-2-enylidene-1H-imidazol-2-yl]methanamine is C=C/C=c1/[nH]c(CN)n/c1=C/C.
What is the InChIKey of [(4E,5E)-4-ethylidene-5-prop-2-enylidene-1H-imidazol-2-yl]methanamine?
The InChIKey is LNKPUEROEYJRBJ-NSLJXJERSA-N. The full InChI is InChI=1S/C9H13N3/c1-3-5-8-7(4-2)11-9(6-10)12-8/h3-5H,1,6,10H2,2H3,(H,11,12)/b7-4+,8-5+.
What are the key properties of [(4E,5E)-4-ethylidene-5-prop-2-enylidene-1H-imidazol-2-yl]methanamine?
[(4E,5E)-4-ethylidene-5-prop-2-enylidene-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,5E)-4-ethylidene-5-prop-2-enylidene-1H-imidazol-2-yl]methanamine is sourced from PubChem (CID 88939569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).