ethene;1-[(3E)-penta-1,3-dien-3-yl]piperidine-4-carbaldehyde

C13H21NO — CID 142850990

IUPACethene;1-[(3E)-penta-1,3-dien-3-yl]piperidine-4-carbaldehyde
SMILESC=C.C=C/C(=C\C)N1CCC(C=O)CC1
InChIInChI=1S/C11H17NO.C2H4/c1-3-11(4-2)12-7-5-10(9-13)6-8-12;1-2/h3-4,9-10H,1,5-8H2,2H3;1-2H2/b11-4+;
InChIKeyVNUCHJZUVHRMNJ-SODSUQDMSA-N
MW207.32 g/mol
LogP2.79
Rot. Bonds3

About ethene;1-[(3E)-penta-1,3-dien-3-yl]piperidine-4-carbaldehyde

ethene;1-[(3E)-penta-1,3-dien-3-yl]piperidine-4-carbaldehyde (PubChem CID 142850990) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is ethene;1-[(3E)-penta-1,3-dien-3-yl]piperidine-4-carbaldehyde.

Molecular Properties

Compound Nameethene;1-[(3E)-penta-1,3-dien-3-yl]piperidine-4-carbaldehyde
PubChem CID142850990
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Nameethene;1-[(3E)-penta-1,3-dien-3-yl]piperidine-4-carbaldehyde
SMILESC=C.C=C/C(=C\C)N1CCC(C=O)CC1
InChIInChI=1S/C11H17NO.C2H4/c1-3-11(4-2)12-7-5-10(9-13)6-8-12;1-2/h3-4,9-10H,1,5-8H2,2H3;1-2H2/b11-4+;
InChIKeyVNUCHJZUVHRMNJ-SODSUQDMSA-N
XLogP2.79
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethene;1-[(3E)-penta-1,3-dien-3-yl]piperidine-4-carbaldehyde 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 ethene;1-[(3E)-penta-1,3-dien-3-yl]piperidine-4-carbaldehyde?
The IUPAC name of ethene;1-[(3E)-penta-1,3-dien-3-yl]piperidine-4-carbaldehyde (CID 142850990) is ethene;1-[(3E)-penta-1,3-dien-3-yl]piperidine-4-carbaldehyde.
What is the SMILES notation for ethene;1-[(3E)-penta-1,3-dien-3-yl]piperidine-4-carbaldehyde?
The canonical SMILES for ethene;1-[(3E)-penta-1,3-dien-3-yl]piperidine-4-carbaldehyde is C=C.C=C/C(=C\C)N1CCC(C=O)CC1.
What is the InChIKey of ethene;1-[(3E)-penta-1,3-dien-3-yl]piperidine-4-carbaldehyde?
The InChIKey is VNUCHJZUVHRMNJ-SODSUQDMSA-N. The full InChI is InChI=1S/C11H17NO.C2H4/c1-3-11(4-2)12-7-5-10(9-13)6-8-12;1-2/h3-4,9-10H,1,5-8H2,2H3;1-2H2/b11-4+;.
What are the key properties of ethene;1-[(3E)-penta-1,3-dien-3-yl]piperidine-4-carbaldehyde?
ethene;1-[(3E)-penta-1,3-dien-3-yl]piperidine-4-carbaldehyde has a molecular weight of 207.32 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;1-[(3E)-penta-1,3-dien-3-yl]piperidine-4-carbaldehyde is sourced from PubChem (CID 142850990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).