1-propan-2-yl-3-(pyrrolidin-3-ylmethyl)imidazol-2-one

C11H19N3O — CID 80580864

IUPAC1-propan-2-yl-3-(pyrrolidin-3-ylmethyl)imidazol-2-one
SMILESCC(C)n1ccn(CC2CCNC2)c1=O
InChIInChI=1S/C11H19N3O/c1-9(2)14-6-5-13(11(14)15)8-10-3-4-12-7-10/h5-6,9-10,12H,3-4,7-8H2,1-2H3
InChIKeyOUZPSXHYBUAUEE-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.84
Rot. Bonds3

About 1-propan-2-yl-3-(pyrrolidin-3-ylmethyl)imidazol-2-one

1-propan-2-yl-3-(pyrrolidin-3-ylmethyl)imidazol-2-one (PubChem CID 80580864) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 1-propan-2-yl-3-(pyrrolidin-3-ylmethyl)imidazol-2-one.

Molecular Properties

Compound Name1-propan-2-yl-3-(pyrrolidin-3-ylmethyl)imidazol-2-one
PubChem CID80580864
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name1-propan-2-yl-3-(pyrrolidin-3-ylmethyl)imidazol-2-one
SMILESCC(C)n1ccn(CC2CCNC2)c1=O
InChIInChI=1S/C11H19N3O/c1-9(2)14-6-5-13(11(14)15)8-10-3-4-12-7-10/h5-6,9-10,12H,3-4,7-8H2,1-2H3
InChIKeyOUZPSXHYBUAUEE-UHFFFAOYSA-N
XLogP0.84
TPSA38.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-propan-2-ylpyrrolidine-1-carboxamide
CID 67357853
(3S)-3-methyl-N-propan-2-ylpyrrolidine-1-carboxamide
CID 68267212
(3R)-3-methyl-N-propan-2-ylpyrrolidine-1-carboxamide
CID 68267213
3-(3-methylbutan-2-yl)-1H-imidazol-2-one
CID 103125032
1-[(1-Methylpyrrolidin-3-yl)methyl]-3-propan-2-ylurea
CID 110749369
N-(3-methylbutan-2-yl)pyrrolidine-1-carboxamide
CID 115578646
1,3-Dimethyl-1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]urea
CID 145081340
N-[(2R)-3-methylbutan-2-yl]pyrrolidine-1-carboxamide
CID 164555756
1-Propan-2-yl-3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]urea
CID 47448512
1-Ethyl-3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]urea
CID 47448513
(1-Propan-2-ylpyrrolidin-3-yl)methylurea
CID 61895268
3-(aminomethyl)-N-propan-2-ylpyrrolidine-1-carboxamide
CID 62062680

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-3-(pyrrolidin-3-ylmethyl)imidazol-2-one?
The IUPAC name of 1-propan-2-yl-3-(pyrrolidin-3-ylmethyl)imidazol-2-one (CID 80580864) is 1-propan-2-yl-3-(pyrrolidin-3-ylmethyl)imidazol-2-one.
What is the SMILES notation for 1-propan-2-yl-3-(pyrrolidin-3-ylmethyl)imidazol-2-one?
The canonical SMILES for 1-propan-2-yl-3-(pyrrolidin-3-ylmethyl)imidazol-2-one is CC(C)n1ccn(CC2CCNC2)c1=O.
What is the InChIKey of 1-propan-2-yl-3-(pyrrolidin-3-ylmethyl)imidazol-2-one?
The InChIKey is OUZPSXHYBUAUEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-9(2)14-6-5-13(11(14)15)8-10-3-4-12-7-10/h5-6,9-10,12H,3-4,7-8H2,1-2H3.
What are the key properties of 1-propan-2-yl-3-(pyrrolidin-3-ylmethyl)imidazol-2-one?
1-propan-2-yl-3-(pyrrolidin-3-ylmethyl)imidazol-2-one has a molecular weight of 209.29 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3-(pyrrolidin-3-ylmethyl)imidazol-2-one is sourced from PubChem (CID 80580864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).