(1E,3Z)-5-ethenyliminopenta-1,3-dien-1-amine

C7H10N2 — CID 88887838

IUPAC(1E,3Z)-5-ethenyliminopenta-1,3-dien-1-amine
SMILESC=C/N=C/C=C\C=C\N
InChIInChI=1S/C7H10N2/c1-2-9-7-5-3-4-6-8/h2-7H,1,8H2/b5-3-,6-4+,9-7+
InChIKeyPEPDIDCFYFWDSJ-YEOFQOCRSA-N
MW122.17 g/mol
LogP1.23
Rot. Bonds3

About (1E,3Z)-5-ethenyliminopenta-1,3-dien-1-amine

(1E,3Z)-5-ethenyliminopenta-1,3-dien-1-amine (PubChem CID 88887838) has the molecular formula C7H10N2 and a molecular weight of 122.17 g/mol. Its IUPAC name is (1E,3Z)-5-ethenyliminopenta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1E,3Z)-5-ethenyliminopenta-1,3-dien-1-amine
PubChem CID88887838
Molecular FormulaC7H10N2
Molecular Weight122.17 g/mol
Exact Mass122.08
IUPAC Name(1E,3Z)-5-ethenyliminopenta-1,3-dien-1-amine
SMILESC=C/N=C/C=C\C=C\N
InChIInChI=1S/C7H10N2/c1-2-9-7-5-3-4-6-8/h2-7H,1,8H2/b5-3-,6-4+,9-7+
InChIKeyPEPDIDCFYFWDSJ-YEOFQOCRSA-N
XLogP1.23
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1E,3Z)-5-ethenyliminopenta-1,3-dien-1-amine?
The IUPAC name of (1E,3Z)-5-ethenyliminopenta-1,3-dien-1-amine (CID 88887838) is (1E,3Z)-5-ethenyliminopenta-1,3-dien-1-amine.
What is the SMILES notation for (1E,3Z)-5-ethenyliminopenta-1,3-dien-1-amine?
The canonical SMILES for (1E,3Z)-5-ethenyliminopenta-1,3-dien-1-amine is C=C/N=C/C=C\C=C\N.
What is the InChIKey of (1E,3Z)-5-ethenyliminopenta-1,3-dien-1-amine?
The InChIKey is PEPDIDCFYFWDSJ-YEOFQOCRSA-N. The full InChI is InChI=1S/C7H10N2/c1-2-9-7-5-3-4-6-8/h2-7H,1,8H2/b5-3-,6-4+,9-7+.
What are the key properties of (1E,3Z)-5-ethenyliminopenta-1,3-dien-1-amine?
(1E,3Z)-5-ethenyliminopenta-1,3-dien-1-amine has a molecular weight of 122.17 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z)-5-ethenyliminopenta-1,3-dien-1-amine is sourced from PubChem (CID 88887838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).