5-butan-2-yl-3-[(1-methylpyrrolidin-2-yl)methyl]imidazolidin-4-one

C13H25N3O — CID 106021634

IUPAC5-butan-2-yl-3-[(1-methylpyrrolidin-2-yl)methyl]imidazolidin-4-one
SMILESCCC(C)C1NCN(CC2CCCN2C)C1=O
InChIInChI=1S/C13H25N3O/c1-4-10(2)12-13(17)16(9-14-12)8-11-6-5-7-15(11)3/h10-12,14H,4-9H2,1-3H3
InChIKeyYJGXPBSMAOLNKM-UHFFFAOYSA-N
MW239.36 g/mol
LogP0.88
Rot. Bonds4

About 5-butan-2-yl-3-[(1-methylpyrrolidin-2-yl)methyl]imidazolidin-4-one

5-butan-2-yl-3-[(1-methylpyrrolidin-2-yl)methyl]imidazolidin-4-one (PubChem CID 106021634) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 5-butan-2-yl-3-[(1-methylpyrrolidin-2-yl)methyl]imidazolidin-4-one.

Molecular Properties

Compound Name5-butan-2-yl-3-[(1-methylpyrrolidin-2-yl)methyl]imidazolidin-4-one
PubChem CID106021634
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name5-butan-2-yl-3-[(1-methylpyrrolidin-2-yl)methyl]imidazolidin-4-one
SMILESCCC(C)C1NCN(CC2CCCN2C)C1=O
InChIInChI=1S/C13H25N3O/c1-4-10(2)12-13(17)16(9-14-12)8-11-6-5-7-15(11)3/h10-12,14H,4-9H2,1-3H3
InChIKeyYJGXPBSMAOLNKM-UHFFFAOYSA-N
XLogP0.88
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-3-[(1-methylpyrrolidin-2-yl)methyl]imidazolidin-4-one?
The IUPAC name of 5-butan-2-yl-3-[(1-methylpyrrolidin-2-yl)methyl]imidazolidin-4-one (CID 106021634) is 5-butan-2-yl-3-[(1-methylpyrrolidin-2-yl)methyl]imidazolidin-4-one.
What is the SMILES notation for 5-butan-2-yl-3-[(1-methylpyrrolidin-2-yl)methyl]imidazolidin-4-one?
The canonical SMILES for 5-butan-2-yl-3-[(1-methylpyrrolidin-2-yl)methyl]imidazolidin-4-one is CCC(C)C1NCN(CC2CCCN2C)C1=O.
What is the InChIKey of 5-butan-2-yl-3-[(1-methylpyrrolidin-2-yl)methyl]imidazolidin-4-one?
The InChIKey is YJGXPBSMAOLNKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-4-10(2)12-13(17)16(9-14-12)8-11-6-5-7-15(11)3/h10-12,14H,4-9H2,1-3H3.
What are the key properties of 5-butan-2-yl-3-[(1-methylpyrrolidin-2-yl)methyl]imidazolidin-4-one?
5-butan-2-yl-3-[(1-methylpyrrolidin-2-yl)methyl]imidazolidin-4-one has a molecular weight of 239.36 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-3-[(1-methylpyrrolidin-2-yl)methyl]imidazolidin-4-one is sourced from PubChem (CID 106021634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).