ethane;1-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]-4-methylimidazolidin-2-one

C14H24N2O — CID 143177592

IUPACethane;1-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]-4-methylimidazolidin-2-one
SMILESC=C/C=C\C(=C/C)CN1CC(C)NC1=O.CC
InChIInChI=1S/C12H18N2O.C2H6/c1-4-6-7-11(5-2)9-14-8-10(3)13-12(14)15;1-2/h4-7,10H,1,8-9H2,2-3H3,(H,13,15);1-2H3/b7-6-,11-5+;
InChIKeyDPXWKHXZXKMYCF-RSKDWUOFSA-N
MW236.36 g/mol
LogP3.11
Rot. Bonds4

About ethane;1-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]-4-methylimidazolidin-2-one

ethane;1-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]-4-methylimidazolidin-2-one (PubChem CID 143177592) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is ethane;1-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]-4-methylimidazolidin-2-one.

Molecular Properties

Compound Nameethane;1-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]-4-methylimidazolidin-2-one
PubChem CID143177592
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Nameethane;1-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]-4-methylimidazolidin-2-one
SMILESC=C/C=C\C(=C/C)CN1CC(C)NC1=O.CC
InChIInChI=1S/C12H18N2O.C2H6/c1-4-6-7-11(5-2)9-14-8-10(3)13-12(14)15;1-2/h4-7,10H,1,8-9H2,2-3H3,(H,13,15);1-2H3/b7-6-,11-5+;
InChIKeyDPXWKHXZXKMYCF-RSKDWUOFSA-N
XLogP3.11
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze ethane;1-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]-4-methylimidazolidin-2-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,3Z)-2-ethylidenehexa-3,5-dienyl]-4-methylimidazolidin-2-one?
The IUPAC name of ethane;1-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]-4-methylimidazolidin-2-one (CID 143177592) is ethane;1-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]-4-methylimidazolidin-2-one.
What is the SMILES notation for ethane;1-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]-4-methylimidazolidin-2-one?
The canonical SMILES for ethane;1-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]-4-methylimidazolidin-2-one is C=C/C=C\C(=C/C)CN1CC(C)NC1=O.CC.
What is the InChIKey of ethane;1-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]-4-methylimidazolidin-2-one?
The InChIKey is DPXWKHXZXKMYCF-RSKDWUOFSA-N. The full InChI is InChI=1S/C12H18N2O.C2H6/c1-4-6-7-11(5-2)9-14-8-10(3)13-12(14)15;1-2/h4-7,10H,1,8-9H2,2-3H3,(H,13,15);1-2H3/b7-6-,11-5+;.
What are the key properties of ethane;1-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]-4-methylimidazolidin-2-one?
ethane;1-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]-4-methylimidazolidin-2-one has a molecular weight of 236.36 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]-4-methylimidazolidin-2-one is sourced from PubChem (CID 143177592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).