acetylene;(Z,2E)-6-amino-2-ethylidenehex-3-enal

C10H15NO — CID 143435039

IUPACacetylene;(Z,2E)-6-amino-2-ethylidenehex-3-enal
SMILESC#C.C/C=C(C=O)\C=C/CCN
InChIInChI=1S/C8H13NO.C2H2/c1-2-8(7-10)5-3-4-6-9;1-2/h2-3,5,7H,4,6,9H2,1H3;1-2H/b5-3-,8-2+;
InChIKeyYOPGXETVCWJNOA-UGKAMQEBSA-N
MW165.24 g/mol
LogP1.29
Rot. Bonds4

About acetylene;(Z,2E)-6-amino-2-ethylidenehex-3-enal

acetylene;(Z,2E)-6-amino-2-ethylidenehex-3-enal (PubChem CID 143435039) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is acetylene;(Z,2E)-6-amino-2-ethylidenehex-3-enal.

Molecular Properties

Compound Nameacetylene;(Z,2E)-6-amino-2-ethylidenehex-3-enal
PubChem CID143435039
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Nameacetylene;(Z,2E)-6-amino-2-ethylidenehex-3-enal
SMILESC#C.C/C=C(C=O)\C=C/CCN
InChIInChI=1S/C8H13NO.C2H2/c1-2-8(7-10)5-3-4-6-9;1-2/h2-3,5,7H,4,6,9H2,1H3;1-2H/b5-3-,8-2+;
InChIKeyYOPGXETVCWJNOA-UGKAMQEBSA-N
XLogP1.29
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze acetylene;(Z,2E)-6-amino-2-ethylidenehex-3-enal 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 acetylene;(Z,2E)-6-amino-2-ethylidenehex-3-enal?
The IUPAC name of acetylene;(Z,2E)-6-amino-2-ethylidenehex-3-enal (CID 143435039) is acetylene;(Z,2E)-6-amino-2-ethylidenehex-3-enal.
What is the SMILES notation for acetylene;(Z,2E)-6-amino-2-ethylidenehex-3-enal?
The canonical SMILES for acetylene;(Z,2E)-6-amino-2-ethylidenehex-3-enal is C#C.C/C=C(C=O)\C=C/CCN.
What is the InChIKey of acetylene;(Z,2E)-6-amino-2-ethylidenehex-3-enal?
The InChIKey is YOPGXETVCWJNOA-UGKAMQEBSA-N. The full InChI is InChI=1S/C8H13NO.C2H2/c1-2-8(7-10)5-3-4-6-9;1-2/h2-3,5,7H,4,6,9H2,1H3;1-2H/b5-3-,8-2+;.
What are the key properties of acetylene;(Z,2E)-6-amino-2-ethylidenehex-3-enal?
acetylene;(Z,2E)-6-amino-2-ethylidenehex-3-enal has a molecular weight of 165.24 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;(Z,2E)-6-amino-2-ethylidenehex-3-enal is sourced from PubChem (CID 143435039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).