5-methyl-3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]imidazolidin-4-one

C12H23N3O — CID 83255774

IUPAC5-methyl-3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]imidazolidin-4-one
SMILESCC1NCN(CC2CCN(C(C)C)C2)C1=O
InChIInChI=1S/C12H23N3O/c1-9(2)14-5-4-11(6-14)7-15-8-13-10(3)12(15)16/h9-11,13H,4-8H2,1-3H3
InChIKeyHTZSRDQOKUMCLP-UHFFFAOYSA-N
MW225.34 g/mol
LogP0.49
Rot. Bonds3

About 5-methyl-3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]imidazolidin-4-one

5-methyl-3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]imidazolidin-4-one (PubChem CID 83255774) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 5-methyl-3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]imidazolidin-4-one.

Molecular Properties

Compound Name5-methyl-3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]imidazolidin-4-one
PubChem CID83255774
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name5-methyl-3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]imidazolidin-4-one
SMILESCC1NCN(CC2CCN(C(C)C)C2)C1=O
InChIInChI=1S/C12H23N3O/c1-9(2)14-5-4-11(6-14)7-15-8-13-10(3)12(15)16/h9-11,13H,4-8H2,1-3H3
InChIKeyHTZSRDQOKUMCLP-UHFFFAOYSA-N
XLogP0.49
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-3-[(1-methylpyrrolidin-3-yl)methyl]imidazolidin-4-one
CID 83255711
5-butan-2-yl-2-methyl-3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]imidazolidin-4-one
CID 83255699
3-methyl-1-[(1-methylpiperidin-3-yl)methyl]-1,4-diazepan-2-one
CID 115102053
6-methyl-6-[(1-propan-2-ylpyrrolidin-3-yl)methyl]morpholin-3-one
CID 117159042
1-ethyl-4-[(1-propan-2-ylpyrrolidin-3-yl)methyl]piperazine
CID 170266000
1-methyl-4-[[(3S)-1-propan-2-ylpyrrolidin-3-yl]methyl]piperazine
CID 170617047
2-methyl-1-[4-[(1-propan-2-ylpyrrolidin-3-yl)methyl]piperazin-1-yl]propan-1-one
CID 170613851
(1-propan-2-ylpyrrolidin-3-yl)methanol
CID 16641305
5-butan-2-yl-3-[(1-ethylpiperidin-4-yl)methyl]imidazolidin-4-one
CID 83248870
2-(1-propan-2-ylpyrrolidin-3-yl)acetaldehyde
CID 84763666
1-[4-[[(3S)-1-propan-2-ylpyrrolidin-3-yl]methyl]piperazin-1-yl]ethanone
CID 167190623
2,4-dioxo-1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrimidine-5-carboxylic acid
CID 79876463

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]imidazolidin-4-one?
The IUPAC name of 5-methyl-3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]imidazolidin-4-one (CID 83255774) is 5-methyl-3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]imidazolidin-4-one.
What is the SMILES notation for 5-methyl-3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]imidazolidin-4-one?
The canonical SMILES for 5-methyl-3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]imidazolidin-4-one is CC1NCN(CC2CCN(C(C)C)C2)C1=O.
What is the InChIKey of 5-methyl-3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]imidazolidin-4-one?
The InChIKey is HTZSRDQOKUMCLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-9(2)14-5-4-11(6-14)7-15-8-13-10(3)12(15)16/h9-11,13H,4-8H2,1-3H3.
What are the key properties of 5-methyl-3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]imidazolidin-4-one?
5-methyl-3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]imidazolidin-4-one has a molecular weight of 225.34 g/mol, XLogP of 0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]imidazolidin-4-one is sourced from PubChem (CID 83255774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).