3-heptan-2-yl-5-propylimidazolidin-4-one

C13H26N2O — CID 83253979

IUPAC3-heptan-2-yl-5-propylimidazolidin-4-one
SMILESCCCCCC(C)N1CNC(CCC)C1=O
InChIInChI=1S/C13H26N2O/c1-4-6-7-9-11(3)15-10-14-12(8-5-2)13(15)16/h11-12,14H,4-10H2,1-3H3
InChIKeyCDCWZISYGKRKNK-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.51
Rot. Bonds7

About 3-heptan-2-yl-5-propylimidazolidin-4-one

3-heptan-2-yl-5-propylimidazolidin-4-one (PubChem CID 83253979) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 3-heptan-2-yl-5-propylimidazolidin-4-one.

Molecular Properties

Compound Name3-heptan-2-yl-5-propylimidazolidin-4-one
PubChem CID83253979
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name3-heptan-2-yl-5-propylimidazolidin-4-one
SMILESCCCCCC(C)N1CNC(CCC)C1=O
InChIInChI=1S/C13H26N2O/c1-4-6-7-9-11(3)15-10-14-12(8-5-2)13(15)16/h11-12,14H,4-10H2,1-3H3
InChIKeyCDCWZISYGKRKNK-UHFFFAOYSA-N
XLogP2.51
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-heptan-2-yl-5-(2-methylpropyl)imidazolidin-4-one
CID 83254098
5-(2-methylpropyl)-3-octan-2-ylimidazolidin-4-one
CID 83246616
3-heptan-2-yl-5-propan-2-ylimidazolidin-4-one
CID 83252650
3-(1-cyclopropylpropan-2-yl)-5-propylimidazolidin-4-one
CID 83257228
3-octan-2-yl-5-propan-2-ylimidazolidin-4-one
CID 83247931
5-butyl-3-[1-(diethylamino)propan-2-yl]imidazolidin-4-one
CID 83250007
5-benzyl-3-hexan-2-ylimidazolidin-4-one
CID 83254120
5-butyl-3-octan-4-ylimidazolidin-4-one
CID 106021472
3-[4-(dimethylamino)butan-2-yl]-5-ethylimidazolidin-4-one
CID 83248683
1-heptan-2-ylpyrrolidine-2,4-dione
CID 79515392
2-(2-methylpropyl)-3-octan-2-yl-5-propylimidazolidin-4-one
CID 83248176
3-(2-methylbutyl)-5-propylimidazolidin-4-one
CID 83253599

Frequently Asked Questions

What is the IUPAC name of 3-heptan-2-yl-5-propylimidazolidin-4-one?
The IUPAC name of 3-heptan-2-yl-5-propylimidazolidin-4-one (CID 83253979) is 3-heptan-2-yl-5-propylimidazolidin-4-one.
What is the SMILES notation for 3-heptan-2-yl-5-propylimidazolidin-4-one?
The canonical SMILES for 3-heptan-2-yl-5-propylimidazolidin-4-one is CCCCCC(C)N1CNC(CCC)C1=O.
What is the InChIKey of 3-heptan-2-yl-5-propylimidazolidin-4-one?
The InChIKey is CDCWZISYGKRKNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-4-6-7-9-11(3)15-10-14-12(8-5-2)13(15)16/h11-12,14H,4-10H2,1-3H3.
What are the key properties of 3-heptan-2-yl-5-propylimidazolidin-4-one?
3-heptan-2-yl-5-propylimidazolidin-4-one has a molecular weight of 226.36 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-heptan-2-yl-5-propylimidazolidin-4-one is sourced from PubChem (CID 83253979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).