(Z,2E)-2-(methylaminomethylidene)hex-3-enal

C8H13NO — CID 143279374

IUPAC(Z,2E)-2-(methylaminomethylidene)hex-3-enal
SMILESCC/C=C\C(C=O)=C/NC
InChIInChI=1S/C8H13NO/c1-3-4-5-8(7-10)6-9-2/h4-7,9H,3H2,1-2H3/b5-4-,8-6+
InChIKeyCYIPMUXWGDPOIC-GSGSLZOQSA-N
MW139.20 g/mol
LogP1.25
Rot. Bonds4

About (Z,2E)-2-(methylaminomethylidene)hex-3-enal

(Z,2E)-2-(methylaminomethylidene)hex-3-enal (PubChem CID 143279374) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is (Z,2E)-2-(methylaminomethylidene)hex-3-enal.

Molecular Properties

Compound Name(Z,2E)-2-(methylaminomethylidene)hex-3-enal
PubChem CID143279374
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name(Z,2E)-2-(methylaminomethylidene)hex-3-enal
SMILESCC/C=C\C(C=O)=C/NC
InChIInChI=1S/C8H13NO/c1-3-4-5-8(7-10)6-9-2/h4-7,9H,3H2,1-2H3/b5-4-,8-6+
InChIKeyCYIPMUXWGDPOIC-GSGSLZOQSA-N
XLogP1.25
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.25
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'}

Analyze (Z,2E)-2-(methylaminomethylidene)hex-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 (Z,2E)-2-(methylaminomethylidene)hex-3-enal?
The IUPAC name of (Z,2E)-2-(methylaminomethylidene)hex-3-enal (CID 143279374) is (Z,2E)-2-(methylaminomethylidene)hex-3-enal.
What is the SMILES notation for (Z,2E)-2-(methylaminomethylidene)hex-3-enal?
The canonical SMILES for (Z,2E)-2-(methylaminomethylidene)hex-3-enal is CC/C=C\C(C=O)=C/NC.
What is the InChIKey of (Z,2E)-2-(methylaminomethylidene)hex-3-enal?
The InChIKey is CYIPMUXWGDPOIC-GSGSLZOQSA-N. The full InChI is InChI=1S/C8H13NO/c1-3-4-5-8(7-10)6-9-2/h4-7,9H,3H2,1-2H3/b5-4-,8-6+.
What are the key properties of (Z,2E)-2-(methylaminomethylidene)hex-3-enal?
(Z,2E)-2-(methylaminomethylidene)hex-3-enal has a molecular weight of 139.20 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2E)-2-(methylaminomethylidene)hex-3-enal is sourced from PubChem (CID 143279374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).