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

C14H23NO — CID 143398323

IUPACethane;1-[(2E)-2-ethenylpenta-2,4-dienyl]piperidin-4-one
SMILESC=C/C=C(\C=C)CN1CCC(=O)CC1.CC
InChIInChI=1S/C12H17NO.C2H6/c1-3-5-11(4-2)10-13-8-6-12(14)7-9-13;1-2/h3-5H,1-2,6-10H2;1-2H3/b11-5+;
InChIKeyHKNIQQORKVNLBZ-HMXKFKBXSA-N
MW221.34 g/mol
LogP2.98
Rot. Bonds4

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

ethane;1-[(2E)-2-ethenylpenta-2,4-dienyl]piperidin-4-one (PubChem CID 143398323) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is ethane;1-[(2E)-2-ethenylpenta-2,4-dienyl]piperidin-4-one.

Molecular Properties

Compound Nameethane;1-[(2E)-2-ethenylpenta-2,4-dienyl]piperidin-4-one
PubChem CID143398323
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Nameethane;1-[(2E)-2-ethenylpenta-2,4-dienyl]piperidin-4-one
SMILESC=C/C=C(\C=C)CN1CCC(=O)CC1.CC
InChIInChI=1S/C12H17NO.C2H6/c1-3-5-11(4-2)10-13-8-6-12(14)7-9-13;1-2/h3-5H,1-2,6-10H2;1-2H3/b11-5+;
InChIKeyHKNIQQORKVNLBZ-HMXKFKBXSA-N
XLogP2.98
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.98
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]piperidin-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

Frequently Asked Questions

What is the IUPAC name of ethane;1-[(2E)-2-ethenylpenta-2,4-dienyl]piperidin-4-one?
The IUPAC name of ethane;1-[(2E)-2-ethenylpenta-2,4-dienyl]piperidin-4-one (CID 143398323) is ethane;1-[(2E)-2-ethenylpenta-2,4-dienyl]piperidin-4-one.
What is the SMILES notation for ethane;1-[(2E)-2-ethenylpenta-2,4-dienyl]piperidin-4-one?
The canonical SMILES for ethane;1-[(2E)-2-ethenylpenta-2,4-dienyl]piperidin-4-one is C=C/C=C(\C=C)CN1CCC(=O)CC1.CC.
What is the InChIKey of ethane;1-[(2E)-2-ethenylpenta-2,4-dienyl]piperidin-4-one?
The InChIKey is HKNIQQORKVNLBZ-HMXKFKBXSA-N. The full InChI is InChI=1S/C12H17NO.C2H6/c1-3-5-11(4-2)10-13-8-6-12(14)7-9-13;1-2/h3-5H,1-2,6-10H2;1-2H3/b11-5+;.
What are the key properties of ethane;1-[(2E)-2-ethenylpenta-2,4-dienyl]piperidin-4-one?
ethane;1-[(2E)-2-ethenylpenta-2,4-dienyl]piperidin-4-one has a molecular weight of 221.34 g/mol, XLogP of 2.98, 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]piperidin-4-one is sourced from PubChem (CID 143398323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).