1,4,4-trimethyl-5-propylimidazolidin-2-one

C9H18N2O — CID 123476601

IUPAC1,4,4-trimethyl-5-propylimidazolidin-2-one
SMILESCCCC1N(C)C(=O)NC1(C)C
InChIInChI=1S/C9H18N2O/c1-5-6-7-9(2,3)10-8(12)11(7)4/h7H,5-6H2,1-4H3,(H,10,12)
InChIKeyPFAARSPCONGTFA-UHFFFAOYSA-N
MW170.26 g/mol
LogP1.59
Rot. Bonds2

About 1,4,4-trimethyl-5-propylimidazolidin-2-one

1,4,4-trimethyl-5-propylimidazolidin-2-one (PubChem CID 123476601) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 1,4,4-trimethyl-5-propylimidazolidin-2-one.

Molecular Properties

Compound Name1,4,4-trimethyl-5-propylimidazolidin-2-one
PubChem CID123476601
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name1,4,4-trimethyl-5-propylimidazolidin-2-one
SMILESCCCC1N(C)C(=O)NC1(C)C
InChIInChI=1S/C9H18N2O/c1-5-6-7-9(2,3)10-8(12)11(7)4/h7H,5-6H2,1-4H3,(H,10,12)
InChIKeyPFAARSPCONGTFA-UHFFFAOYSA-N
XLogP1.59
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-methyl-3-propyl-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64885908
3-methyl-2-propylimidazolidin-4-one
CID 83259789
4-methyl-3-propylpiperazine-2,6-dione
CID 126984968
3-cyclopropyl-3-methyl-1,6-dipropylpiperazine-2,5-dione
CID 64886332
N-cyclopropyl-4-(2,4,6-trioxo-5-propyl-1,3-diazinan-1-yl)butanamide
CID 115948700
3,3-dimethyl-4-propylpyrrolidin-2-one
CID 89424311
1-butyl-3-cyclopropyl-3-methyl-6-propylpiperazine-2,5-dione
CID 64887854
5,5-dimethyl-3-[2-(propylamino)ethyl]imidazolidine-2,4-dione
CID 61387575
1-cyclohexyl-3-cyclopropyl-3-methyl-6-propylpiperazine-2,5-dione
CID 82924808
2-propylthiomorpholine-3,5-dione
CID 173033584
2-ethyl-3-methyl-5-propylimidazolidin-4-one
CID 83261092
1-cyclopropyl-6-methyl-3-propylpiperazine-2,5-dione
CID 64958390

Frequently Asked Questions

What is the IUPAC name of 1,4,4-trimethyl-5-propylimidazolidin-2-one?
The IUPAC name of 1,4,4-trimethyl-5-propylimidazolidin-2-one (CID 123476601) is 1,4,4-trimethyl-5-propylimidazolidin-2-one.
What is the SMILES notation for 1,4,4-trimethyl-5-propylimidazolidin-2-one?
The canonical SMILES for 1,4,4-trimethyl-5-propylimidazolidin-2-one is CCCC1N(C)C(=O)NC1(C)C.
What is the InChIKey of 1,4,4-trimethyl-5-propylimidazolidin-2-one?
The InChIKey is PFAARSPCONGTFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-5-6-7-9(2,3)10-8(12)11(7)4/h7H,5-6H2,1-4H3,(H,10,12).
What are the key properties of 1,4,4-trimethyl-5-propylimidazolidin-2-one?
1,4,4-trimethyl-5-propylimidazolidin-2-one has a molecular weight of 170.26 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,4-trimethyl-5-propylimidazolidin-2-one is sourced from PubChem (CID 123476601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).