1-ethyl-3-heptanoylimidazolidin-2-one

C12H22N2O2 — CID 139816789

IUPAC1-ethyl-3-heptanoylimidazolidin-2-one
SMILESCCCCCCC(=O)N1CCN(CC)C1=O
InChIInChI=1S/C12H22N2O2/c1-3-5-6-7-8-11(15)14-10-9-13(4-2)12(14)16/h3-10H2,1-2H3
InChIKeyPKSXJVJZJYIGDC-UHFFFAOYSA-N
MW226.32 g/mol
LogP2.24
Rot. Bonds6

About 1-ethyl-3-heptanoylimidazolidin-2-one

1-ethyl-3-heptanoylimidazolidin-2-one (PubChem CID 139816789) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 1-ethyl-3-heptanoylimidazolidin-2-one.

Molecular Properties

Compound Name1-ethyl-3-heptanoylimidazolidin-2-one
PubChem CID139816789
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name1-ethyl-3-heptanoylimidazolidin-2-one
SMILESCCCCCCC(=O)N1CCN(CC)C1=O
InChIInChI=1S/C12H22N2O2/c1-3-5-6-7-8-11(15)14-10-9-13(4-2)12(14)16/h3-10H2,1-2H3
InChIKeyPKSXJVJZJYIGDC-UHFFFAOYSA-N
XLogP2.24
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 11021000
1-decanoyl-3-methylpyrrolidin-2-one
CID 19035137
1,3-dioctylimidazolidin-2-one
CID 19987667
1-(4-octadecanoylpiperazin-1-yl)octadecan-1-one
CID 550164
1-tetradecanoyl-2,3-dihydroquinolin-4-one
CID 57163991
1-docosanoylpyrrolidine-2,5-dione
CID 149150583
1-pyrrolidin-1-ylheptadecan-1-one
CID 574649
1-(4-ethylpiperazin-1-yl)tetradecan-1-one
CID 10358918
1-hexanoyl-3-(1-hydroxypropan-2-ylidene)azetidin-2-one
CID 70411372
octadecakis(hexane);nonan-2-one
CID 173226284
nonan-2-one
CID 13187
nonatriacontan-2-one
CID 141365496

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-heptanoylimidazolidin-2-one?
The IUPAC name of 1-ethyl-3-heptanoylimidazolidin-2-one (CID 139816789) is 1-ethyl-3-heptanoylimidazolidin-2-one.
What is the SMILES notation for 1-ethyl-3-heptanoylimidazolidin-2-one?
The canonical SMILES for 1-ethyl-3-heptanoylimidazolidin-2-one is CCCCCCC(=O)N1CCN(CC)C1=O.
What is the InChIKey of 1-ethyl-3-heptanoylimidazolidin-2-one?
The InChIKey is PKSXJVJZJYIGDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-3-5-6-7-8-11(15)14-10-9-13(4-2)12(14)16/h3-10H2,1-2H3.
What are the key properties of 1-ethyl-3-heptanoylimidazolidin-2-one?
1-ethyl-3-heptanoylimidazolidin-2-one has a molecular weight of 226.32 g/mol, XLogP of 2.24, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-heptanoylimidazolidin-2-one is sourced from PubChem (CID 139816789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).