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

C7H9N3 — CID 88544990

IUPAC(E)-[(4E)-4-prop-2-enylidene-1H-imidazol-5-ylidene]methanamine
SMILESC=C/C=c1/nc[nH]/c1=C/N
InChIInChI=1S/C7H9N3/c1-2-3-6-7(4-8)10-5-9-6/h2-5H,1,8H2,(H,9,10)/b6-3+,7-4+
InChIKeyUDAFPBBIZREATO-XOKGJFMYSA-N
MW135.17 g/mol
LogP-0.93
Rot. Bonds1

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

(E)-[(4E)-4-prop-2-enylidene-1H-imidazol-5-ylidene]methanamine (PubChem CID 88544990) has the molecular formula C7H9N3 and a molecular weight of 135.17 g/mol. Its IUPAC name is (E)-[(4E)-4-prop-2-enylidene-1H-imidazol-5-ylidene]methanamine.

Molecular Properties

Compound Name(E)-[(4E)-4-prop-2-enylidene-1H-imidazol-5-ylidene]methanamine
PubChem CID88544990
Molecular FormulaC7H9N3
Molecular Weight135.17 g/mol
Exact Mass135.08
IUPAC Name(E)-[(4E)-4-prop-2-enylidene-1H-imidazol-5-ylidene]methanamine
SMILESC=C/C=c1/nc[nH]/c1=C/N
InChIInChI=1S/C7H9N3/c1-2-3-6-7(4-8)10-5-9-6/h2-5H,1,8H2,(H,9,10)/b6-3+,7-4+
InChIKeyUDAFPBBIZREATO-XOKGJFMYSA-N
XLogP-0.93
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.17
LogP ≤ 5-0.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-[(4E)-4-prop-2-enylidene-1H-imidazol-5-ylidene]methanamine?
The IUPAC name of (E)-[(4E)-4-prop-2-enylidene-1H-imidazol-5-ylidene]methanamine (CID 88544990) is (E)-[(4E)-4-prop-2-enylidene-1H-imidazol-5-ylidene]methanamine.
What is the SMILES notation for (E)-[(4E)-4-prop-2-enylidene-1H-imidazol-5-ylidene]methanamine?
The canonical SMILES for (E)-[(4E)-4-prop-2-enylidene-1H-imidazol-5-ylidene]methanamine is C=C/C=c1/nc[nH]/c1=C/N.
What is the InChIKey of (E)-[(4E)-4-prop-2-enylidene-1H-imidazol-5-ylidene]methanamine?
The InChIKey is UDAFPBBIZREATO-XOKGJFMYSA-N. The full InChI is InChI=1S/C7H9N3/c1-2-3-6-7(4-8)10-5-9-6/h2-5H,1,8H2,(H,9,10)/b6-3+,7-4+.
What are the key properties of (E)-[(4E)-4-prop-2-enylidene-1H-imidazol-5-ylidene]methanamine?
(E)-[(4E)-4-prop-2-enylidene-1H-imidazol-5-ylidene]methanamine has a molecular weight of 135.17 g/mol, XLogP of -0.93, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-[(4E)-4-prop-2-enylidene-1H-imidazol-5-ylidene]methanamine is sourced from PubChem (CID 88544990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).