ethane;5-ethyl-5-methyl-1-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]imidazolidin-4-one

C18H34N2O — CID 142026677

IUPACethane;5-ethyl-5-methyl-1-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]imidazolidin-4-one
SMILESC/C=C\C=C(/C=C\C)N1CNC(=O)C1(C)CC.CC.CC
InChIInChI=1S/C14H22N2O.2C2H6/c1-5-8-10-12(9-6-2)16-11-15-13(17)14(16,4)7-3;2*1-2/h5-6,8-10H,7,11H2,1-4H3,(H,15,17);2*1-2H3/b8-5-,9-6-,12-10+;;
InChIKeyOTDGWBKUGDORDS-UXMHWOEXSA-N
MW294.48 g/mol
LogP4.63
Rot. Bonds4

About ethane;5-ethyl-5-methyl-1-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]imidazolidin-4-one

ethane;5-ethyl-5-methyl-1-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]imidazolidin-4-one (PubChem CID 142026677) has the molecular formula C18H34N2O and a molecular weight of 294.48 g/mol. Its IUPAC name is ethane;5-ethyl-5-methyl-1-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]imidazolidin-4-one.

Molecular Properties

Compound Nameethane;5-ethyl-5-methyl-1-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]imidazolidin-4-one
PubChem CID142026677
Molecular FormulaC18H34N2O
Molecular Weight294.48 g/mol
Exact Mass294.27
IUPAC Nameethane;5-ethyl-5-methyl-1-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]imidazolidin-4-one
SMILESC/C=C\C=C(/C=C\C)N1CNC(=O)C1(C)CC.CC.CC
InChIInChI=1S/C14H22N2O.2C2H6/c1-5-8-10-12(9-6-2)16-11-15-13(17)14(16,4)7-3;2*1-2/h5-6,8-10H,7,11H2,1-4H3,(H,15,17);2*1-2H3/b8-5-,9-6-,12-10+;;
InChIKeyOTDGWBKUGDORDS-UXMHWOEXSA-N
XLogP4.63
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.48
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethane;5-ethyl-5-methyl-1-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]imidazolidin-4-one with MolForge

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Related Compounds

ethane;1-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-8-methyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 142071723
1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-8-methyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 142152590
1-[(3Z)-hexa-1,3,5-trien-2-yl]-8-methyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 142313199
3-[(2E,4Z,6Z)-octa-2,4,6-trien-2-yl]-5-propan-2-ylimidazolidine-2,4-dione
CID 143445283
ethane;1-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-5-methylimidazolidin-4-one
CID 143800907
5-ethyl-5-methyl-1-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]imidazolidin-4-one
CID 142026678
1-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-8-methyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 142071724
1-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-5-methylimidazolidin-4-one
CID 143800908

Frequently Asked Questions

What is the IUPAC name of ethane;5-ethyl-5-methyl-1-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]imidazolidin-4-one?
The IUPAC name of ethane;5-ethyl-5-methyl-1-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]imidazolidin-4-one (CID 142026677) is ethane;5-ethyl-5-methyl-1-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]imidazolidin-4-one.
What is the SMILES notation for ethane;5-ethyl-5-methyl-1-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]imidazolidin-4-one?
The canonical SMILES for ethane;5-ethyl-5-methyl-1-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]imidazolidin-4-one is C/C=C\C=C(/C=C\C)N1CNC(=O)C1(C)CC.CC.CC.
What is the InChIKey of ethane;5-ethyl-5-methyl-1-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]imidazolidin-4-one?
The InChIKey is OTDGWBKUGDORDS-UXMHWOEXSA-N. The full InChI is InChI=1S/C14H22N2O.2C2H6/c1-5-8-10-12(9-6-2)16-11-15-13(17)14(16,4)7-3;2*1-2/h5-6,8-10H,7,11H2,1-4H3,(H,15,17);2*1-2H3/b8-5-,9-6-,12-10+;;.
What are the key properties of ethane;5-ethyl-5-methyl-1-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]imidazolidin-4-one?
ethane;5-ethyl-5-methyl-1-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]imidazolidin-4-one has a molecular weight of 294.48 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-ethyl-5-methyl-1-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]imidazolidin-4-one is sourced from PubChem (CID 142026677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).