4-butyl-1-deuterioimidazolidin-2-one

C7H14N2O — CID 139901383

IUPAC4-butyl-1-deuterioimidazolidin-2-one
SMILES[2H]N1CC(CCCC)NC1=O
InChIInChI=1S/C7H14N2O/c1-2-3-4-6-5-8-7(10)9-6/h6H,2-5H2,1H3,(H2,8,9,10)/i/hD
InChIKeyMERKLFSFODHQQB-DYCDLGHISA-N
MW143.21 g/mol
LogP0.86
Rot. Bonds3

About 4-butyl-1-deuterioimidazolidin-2-one

4-butyl-1-deuterioimidazolidin-2-one (PubChem CID 139901383) has the molecular formula C7H14N2O and a molecular weight of 143.21 g/mol. Its IUPAC name is 4-butyl-1-deuterioimidazolidin-2-one.

Molecular Properties

Compound Name4-butyl-1-deuterioimidazolidin-2-one
PubChem CID139901383
Molecular FormulaC7H14N2O
Molecular Weight143.21 g/mol
Exact Mass143.12
IUPAC Name4-butyl-1-deuterioimidazolidin-2-one
SMILES[2H]N1CC(CCCC)NC1=O
InChIInChI=1S/C7H14N2O/c1-2-3-4-6-5-8-7(10)9-6/h6H,2-5H2,1H3,(H2,8,9,10)/i/hD
InChIKeyMERKLFSFODHQQB-DYCDLGHISA-N
XLogP0.86
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.21
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-butyl-1-deuterioimidazolidin-2-one?
The IUPAC name of 4-butyl-1-deuterioimidazolidin-2-one (CID 139901383) is 4-butyl-1-deuterioimidazolidin-2-one.
What is the SMILES notation for 4-butyl-1-deuterioimidazolidin-2-one?
The canonical SMILES for 4-butyl-1-deuterioimidazolidin-2-one is [2H]N1CC(CCCC)NC1=O.
What is the InChIKey of 4-butyl-1-deuterioimidazolidin-2-one?
The InChIKey is MERKLFSFODHQQB-DYCDLGHISA-N. The full InChI is InChI=1S/C7H14N2O/c1-2-3-4-6-5-8-7(10)9-6/h6H,2-5H2,1H3,(H2,8,9,10)/i/hD.
What are the key properties of 4-butyl-1-deuterioimidazolidin-2-one?
4-butyl-1-deuterioimidazolidin-2-one has a molecular weight of 143.21 g/mol, XLogP of 0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-1-deuterioimidazolidin-2-one is sourced from PubChem (CID 139901383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).