ethane;1-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-5-methylimidazolidin-4-one

C13H22N2O — CID 143800907

IUPACethane;1-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-5-methylimidazolidin-4-one
SMILESC=C/C(=C\C=C/C)N1CNC(=O)C1C.CC
InChIInChI=1S/C11H16N2O.C2H6/c1-4-6-7-10(5-2)13-8-12-11(14)9(13)3;1-2/h4-7,9H,2,8H2,1,3H3,(H,12,14);1-2H3/b6-4-,10-7+;
InChIKeyIOKJBQOFKFEZDA-IGPSGPCSSA-N
MW222.33 g/mol
LogP2.44
Rot. Bonds3

About ethane;1-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-5-methylimidazolidin-4-one

ethane;1-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-5-methylimidazolidin-4-one (PubChem CID 143800907) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is ethane;1-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-5-methylimidazolidin-4-one.

Molecular Properties

Compound Nameethane;1-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-5-methylimidazolidin-4-one
PubChem CID143800907
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Nameethane;1-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-5-methylimidazolidin-4-one
SMILESC=C/C(=C\C=C/C)N1CNC(=O)C1C.CC
InChIInChI=1S/C11H16N2O.C2H6/c1-4-6-7-10(5-2)13-8-12-11(14)9(13)3;1-2/h4-7,9H,2,8H2,1,3H3,(H,12,14);1-2H3/b6-4-,10-7+;
InChIKeyIOKJBQOFKFEZDA-IGPSGPCSSA-N
XLogP2.44
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-1-[(3E)-4-(trifluoromethyl)hexa-1,3,5-trien-2-yl]imidazolidin-4-one
CID 142841621
2-(2-methylidene-5-oxopyrrol-1-yl)-N-[1-(propanoylamino)ethyl]propanamide
CID 88073512
5-[(Z)-3-(2-methylidene-1-pyridinyl)pent-3-en-1-ynyl]imidazolidine-2,4-dione
CID 88268129
N-(1-formamidoethyl)-2-(2-methylidene-5-oxopyrrol-1-yl)propanamide
CID 89101657
(2S)-N-ethyl-2-(ethylamino)-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]propanamide
CID 89347279
N-[[[2-(2-methylidene-5-oxopyrrol-1-yl)acetyl]amino]methyl]butanamide
CID 90949066
3-[(3E)-penta-1,3-dien-3-yl]imidazolidine-2,4-dione
CID 132174316
1,2,3,5-Tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
CID 138634521
1,2,3,5-Tetrahydroimidazo[1,5-a]pyridine-3-carboxamide
CID 140764826
2,6,12-Triazatricyclo[6.3.1.04,12]dodeca-1(11),7,9-trien-5-one
CID 140977082
1,2,3,5-Tetrahydroimidazo[1,2-a]pyridine-3-carboxamide
CID 141366494
ethane;5-ethyl-5-methyl-1-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]imidazolidin-4-one
CID 142026677

Frequently Asked Questions

What is the IUPAC name of ethane;1-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-5-methylimidazolidin-4-one?
The IUPAC name of ethane;1-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-5-methylimidazolidin-4-one (CID 143800907) is ethane;1-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-5-methylimidazolidin-4-one.
What is the SMILES notation for ethane;1-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-5-methylimidazolidin-4-one?
The canonical SMILES for ethane;1-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-5-methylimidazolidin-4-one is C=C/C(=C\C=C/C)N1CNC(=O)C1C.CC.
What is the InChIKey of ethane;1-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-5-methylimidazolidin-4-one?
The InChIKey is IOKJBQOFKFEZDA-IGPSGPCSSA-N. The full InChI is InChI=1S/C11H16N2O.C2H6/c1-4-6-7-10(5-2)13-8-12-11(14)9(13)3;1-2/h4-7,9H,2,8H2,1,3H3,(H,12,14);1-2H3/b6-4-,10-7+;.
What are the key properties of ethane;1-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-5-methylimidazolidin-4-one?
ethane;1-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-5-methylimidazolidin-4-one has a molecular weight of 222.33 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-5-methylimidazolidin-4-one is sourced from PubChem (CID 143800907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).