(Z,3E)-3-(5-methylidene-1H-imidazol-4-ylidene)prop-1-en-1-amine

C7H9N3 — CID 88947542

IUPAC(Z,3E)-3-(5-methylidene-1H-imidazol-4-ylidene)prop-1-en-1-amine
SMILESC=c1[nH]cn/c1=C/C=C\N
InChIInChI=1S/C7H9N3/c1-6-7(3-2-4-8)10-5-9-6/h2-5H,1,8H2,(H,9,10)/b4-2-,7-3+
InChIKeySLKRWODEZAGGDH-UFSYDLLYSA-N
MW135.17 g/mol
LogP-0.93
Rot. Bonds1

About (Z,3E)-3-(5-methylidene-1H-imidazol-4-ylidene)prop-1-en-1-amine

(Z,3E)-3-(5-methylidene-1H-imidazol-4-ylidene)prop-1-en-1-amine (PubChem CID 88947542) has the molecular formula C7H9N3 and a molecular weight of 135.17 g/mol. Its IUPAC name is (Z,3E)-3-(5-methylidene-1H-imidazol-4-ylidene)prop-1-en-1-amine.

Molecular Properties

Compound Name(Z,3E)-3-(5-methylidene-1H-imidazol-4-ylidene)prop-1-en-1-amine
PubChem CID88947542
Molecular FormulaC7H9N3
Molecular Weight135.17 g/mol
Exact Mass135.08
IUPAC Name(Z,3E)-3-(5-methylidene-1H-imidazol-4-ylidene)prop-1-en-1-amine
SMILESC=c1[nH]cn/c1=C/C=C\N
InChIInChI=1S/C7H9N3/c1-6-7(3-2-4-8)10-5-9-6/h2-5H,1,8H2,(H,9,10)/b4-2-,7-3+
InChIKeySLKRWODEZAGGDH-UFSYDLLYSA-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 (Z,3E)-3-(5-methylidene-1H-imidazol-4-ylidene)prop-1-en-1-amine?
The IUPAC name of (Z,3E)-3-(5-methylidene-1H-imidazol-4-ylidene)prop-1-en-1-amine (CID 88947542) is (Z,3E)-3-(5-methylidene-1H-imidazol-4-ylidene)prop-1-en-1-amine.
What is the SMILES notation for (Z,3E)-3-(5-methylidene-1H-imidazol-4-ylidene)prop-1-en-1-amine?
The canonical SMILES for (Z,3E)-3-(5-methylidene-1H-imidazol-4-ylidene)prop-1-en-1-amine is C=c1[nH]cn/c1=C/C=C\N.
What is the InChIKey of (Z,3E)-3-(5-methylidene-1H-imidazol-4-ylidene)prop-1-en-1-amine?
The InChIKey is SLKRWODEZAGGDH-UFSYDLLYSA-N. The full InChI is InChI=1S/C7H9N3/c1-6-7(3-2-4-8)10-5-9-6/h2-5H,1,8H2,(H,9,10)/b4-2-,7-3+.
What are the key properties of (Z,3E)-3-(5-methylidene-1H-imidazol-4-ylidene)prop-1-en-1-amine?
(Z,3E)-3-(5-methylidene-1H-imidazol-4-ylidene)prop-1-en-1-amine 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 (Z,3E)-3-(5-methylidene-1H-imidazol-4-ylidene)prop-1-en-1-amine is sourced from PubChem (CID 88947542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).