(E)-[(4E)-2-methyl-4-prop-2-enylidene-1H-imidazol-5-ylidene]methanamine

C8H11N3 — CID 88586966

IUPAC(E)-[(4E)-2-methyl-4-prop-2-enylidene-1H-imidazol-5-ylidene]methanamine
SMILESC=C/C=c1/nc(C)[nH]/c1=C/N
InChIInChI=1S/C8H11N3/c1-3-4-7-8(5-9)11-6(2)10-7/h3-5H,1,9H2,2H3,(H,10,11)/b7-4+,8-5+
InChIKeyLYLKAVZYPZAUML-NSLJXJERSA-N
MW149.20 g/mol
LogP-0.62
Rot. Bonds1

About (E)-[(4E)-2-methyl-4-prop-2-enylidene-1H-imidazol-5-ylidene]methanamine

(E)-[(4E)-2-methyl-4-prop-2-enylidene-1H-imidazol-5-ylidene]methanamine (PubChem CID 88586966) has the molecular formula C8H11N3 and a molecular weight of 149.20 g/mol. Its IUPAC name is (E)-[(4E)-2-methyl-4-prop-2-enylidene-1H-imidazol-5-ylidene]methanamine.

Molecular Properties

Compound Name(E)-[(4E)-2-methyl-4-prop-2-enylidene-1H-imidazol-5-ylidene]methanamine
PubChem CID88586966
Molecular FormulaC8H11N3
Molecular Weight149.20 g/mol
Exact Mass149.10
IUPAC Name(E)-[(4E)-2-methyl-4-prop-2-enylidene-1H-imidazol-5-ylidene]methanamine
SMILESC=C/C=c1/nc(C)[nH]/c1=C/N
InChIInChI=1S/C8H11N3/c1-3-4-7-8(5-9)11-6(2)10-7/h3-5H,1,9H2,2H3,(H,10,11)/b7-4+,8-5+
InChIKeyLYLKAVZYPZAUML-NSLJXJERSA-N
XLogP-0.62
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.20
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-[(4E)-2-methyl-4-prop-2-enylidene-1H-imidazol-5-ylidene]methanamine?
The IUPAC name of (E)-[(4E)-2-methyl-4-prop-2-enylidene-1H-imidazol-5-ylidene]methanamine (CID 88586966) is (E)-[(4E)-2-methyl-4-prop-2-enylidene-1H-imidazol-5-ylidene]methanamine.
What is the SMILES notation for (E)-[(4E)-2-methyl-4-prop-2-enylidene-1H-imidazol-5-ylidene]methanamine?
The canonical SMILES for (E)-[(4E)-2-methyl-4-prop-2-enylidene-1H-imidazol-5-ylidene]methanamine is C=C/C=c1/nc(C)[nH]/c1=C/N.
What is the InChIKey of (E)-[(4E)-2-methyl-4-prop-2-enylidene-1H-imidazol-5-ylidene]methanamine?
The InChIKey is LYLKAVZYPZAUML-NSLJXJERSA-N. The full InChI is InChI=1S/C8H11N3/c1-3-4-7-8(5-9)11-6(2)10-7/h3-5H,1,9H2,2H3,(H,10,11)/b7-4+,8-5+.
What are the key properties of (E)-[(4E)-2-methyl-4-prop-2-enylidene-1H-imidazol-5-ylidene]methanamine?
(E)-[(4E)-2-methyl-4-prop-2-enylidene-1H-imidazol-5-ylidene]methanamine has a molecular weight of 149.20 g/mol, XLogP of -0.62, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-[(4E)-2-methyl-4-prop-2-enylidene-1H-imidazol-5-ylidene]methanamine is sourced from PubChem (CID 88586966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).