ethane;1-[(2E)-2-ethenylpenta-2,4-dienyl]-2-methylpiperidin-4-one

C15H25NO — CID 143398289

IUPACethane;1-[(2E)-2-ethenylpenta-2,4-dienyl]-2-methylpiperidin-4-one
SMILESC=C/C=C(\C=C)CN1CCC(=O)CC1C.CC
InChIInChI=1S/C13H19NO.C2H6/c1-4-6-12(5-2)10-14-8-7-13(15)9-11(14)3;1-2/h4-6,11H,1-2,7-10H2,3H3;1-2H3/b12-6+;
InChIKeyPQTNNPVCSSCVRA-WXIWBVQFSA-N
MW235.37 g/mol
LogP3.36
Rot. Bonds4

About ethane;1-[(2E)-2-ethenylpenta-2,4-dienyl]-2-methylpiperidin-4-one

ethane;1-[(2E)-2-ethenylpenta-2,4-dienyl]-2-methylpiperidin-4-one (PubChem CID 143398289) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is ethane;1-[(2E)-2-ethenylpenta-2,4-dienyl]-2-methylpiperidin-4-one.

Molecular Properties

Compound Nameethane;1-[(2E)-2-ethenylpenta-2,4-dienyl]-2-methylpiperidin-4-one
PubChem CID143398289
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Nameethane;1-[(2E)-2-ethenylpenta-2,4-dienyl]-2-methylpiperidin-4-one
SMILESC=C/C=C(\C=C)CN1CCC(=O)CC1C.CC
InChIInChI=1S/C13H19NO.C2H6/c1-4-6-12(5-2)10-14-8-7-13(15)9-11(14)3;1-2/h4-6,11H,1-2,7-10H2,3H3;1-2H3/b12-6+;
InChIKeyPQTNNPVCSSCVRA-WXIWBVQFSA-N
XLogP3.36
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethane;1-[(2E)-2-ethenylpenta-2,4-dienyl]-2-methylpiperidin-4-one with MolForge

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

Launch Full Analysis

Related Compounds

CID 178761404
CID 178761404
CID 129807733
CID 129807733
CID 144046922
CID 144046922
CID 101333055
CID 101333055
CID 102000982
CID 102000982
CID 17929502
CID 17929502
CID 68199897
CID 68199897
CID 70617366
CID 70617366
CID 89312769
CID 89312769
CID 118281617
CID 118281617
CID 118887081
CID 118887081
CID 126703745
CID 126703745

Frequently Asked Questions

What is the IUPAC name of ethane;1-[(2E)-2-ethenylpenta-2,4-dienyl]-2-methylpiperidin-4-one?
The IUPAC name of ethane;1-[(2E)-2-ethenylpenta-2,4-dienyl]-2-methylpiperidin-4-one (CID 143398289) is ethane;1-[(2E)-2-ethenylpenta-2,4-dienyl]-2-methylpiperidin-4-one.
What is the SMILES notation for ethane;1-[(2E)-2-ethenylpenta-2,4-dienyl]-2-methylpiperidin-4-one?
The canonical SMILES for ethane;1-[(2E)-2-ethenylpenta-2,4-dienyl]-2-methylpiperidin-4-one is C=C/C=C(\C=C)CN1CCC(=O)CC1C.CC.
What is the InChIKey of ethane;1-[(2E)-2-ethenylpenta-2,4-dienyl]-2-methylpiperidin-4-one?
The InChIKey is PQTNNPVCSSCVRA-WXIWBVQFSA-N. The full InChI is InChI=1S/C13H19NO.C2H6/c1-4-6-12(5-2)10-14-8-7-13(15)9-11(14)3;1-2/h4-6,11H,1-2,7-10H2,3H3;1-2H3/b12-6+;.
What are the key properties of ethane;1-[(2E)-2-ethenylpenta-2,4-dienyl]-2-methylpiperidin-4-one?
ethane;1-[(2E)-2-ethenylpenta-2,4-dienyl]-2-methylpiperidin-4-one has a molecular weight of 235.37 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[(2E)-2-ethenylpenta-2,4-dienyl]-2-methylpiperidin-4-one is sourced from PubChem (CID 143398289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).