(3Z,5E)-5-(3H-pyridin-2-ylidene)penta-1,3-dien-2-amine

C10H12N2 — CID 129301417

IUPAC(3Z,5E)-5-(3H-pyridin-2-ylidene)penta-1,3-dien-2-amine
SMILESC=C(N)/C=C\C=C1/CC=CC=N1
InChIInChI=1S/C10H12N2/c1-9(11)5-4-7-10-6-2-3-8-12-10/h2-5,7-8H,1,6,11H2/b5-4-,10-7+
InChIKeyFIFGFEMVTXHWKU-DOIONKORSA-N
MW160.22 g/mol
LogP1.93
Rot. Bonds2

About (3Z,5E)-5-(3H-pyridin-2-ylidene)penta-1,3-dien-2-amine

(3Z,5E)-5-(3H-pyridin-2-ylidene)penta-1,3-dien-2-amine (PubChem CID 129301417) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is (3Z,5E)-5-(3H-pyridin-2-ylidene)penta-1,3-dien-2-amine.

Molecular Properties

Compound Name(3Z,5E)-5-(3H-pyridin-2-ylidene)penta-1,3-dien-2-amine
PubChem CID129301417
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Name(3Z,5E)-5-(3H-pyridin-2-ylidene)penta-1,3-dien-2-amine
SMILESC=C(N)/C=C\C=C1/CC=CC=N1
InChIInChI=1S/C10H12N2/c1-9(11)5-4-7-10-6-2-3-8-12-10/h2-5,7-8H,1,6,11H2/b5-4-,10-7+
InChIKeyFIFGFEMVTXHWKU-DOIONKORSA-N
XLogP1.93
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3Z,5E)-5-(3H-pyridin-2-ylidene)penta-1,3-dien-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3Z,5E)-5-(3H-pyridin-2-ylidene)penta-1,3-dien-2-amine?
The IUPAC name of (3Z,5E)-5-(3H-pyridin-2-ylidene)penta-1,3-dien-2-amine (CID 129301417) is (3Z,5E)-5-(3H-pyridin-2-ylidene)penta-1,3-dien-2-amine.
What is the SMILES notation for (3Z,5E)-5-(3H-pyridin-2-ylidene)penta-1,3-dien-2-amine?
The canonical SMILES for (3Z,5E)-5-(3H-pyridin-2-ylidene)penta-1,3-dien-2-amine is C=C(N)/C=C\C=C1/CC=CC=N1.
What is the InChIKey of (3Z,5E)-5-(3H-pyridin-2-ylidene)penta-1,3-dien-2-amine?
The InChIKey is FIFGFEMVTXHWKU-DOIONKORSA-N. The full InChI is InChI=1S/C10H12N2/c1-9(11)5-4-7-10-6-2-3-8-12-10/h2-5,7-8H,1,6,11H2/b5-4-,10-7+.
What are the key properties of (3Z,5E)-5-(3H-pyridin-2-ylidene)penta-1,3-dien-2-amine?
(3Z,5E)-5-(3H-pyridin-2-ylidene)penta-1,3-dien-2-amine has a molecular weight of 160.22 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-5-(3H-pyridin-2-ylidene)penta-1,3-dien-2-amine is sourced from PubChem (CID 129301417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).