imidazolidin-2-one

C3H6N2O — CID 8453

IUPACimidazolidin-2-one
SMILESO=C1NCCN1
InChIInChI=1S/C3H6N2O/c6-3-4-1-2-5-3/h1-2H2,(H2,4,5,6)
InChIKeyYAMHXTCMCPHKLN-UHFFFAOYSA-N
MW86.09 g/mol
LogP-0.70
Rot. Bonds

About imidazolidin-2-one

imidazolidin-2-one (PubChem CID 8453) has the molecular formula C3H6N2O and a molecular weight of 86.09 g/mol. Its IUPAC name is imidazolidin-2-one.

Molecular Properties

Compound Nameimidazolidin-2-one
PubChem CID8453
Molecular FormulaC3H6N2O
Molecular Weight86.09 g/mol
Exact Mass86.05
IUPAC Nameimidazolidin-2-one
SMILESO=C1NCCN1
InChIInChI=1S/C3H6N2O/c6-3-4-1-2-5-3/h1-2H2,(H2,4,5,6)
InChIKeyYAMHXTCMCPHKLN-UHFFFAOYSA-N
XLogP-0.70
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50086.09
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of imidazolidin-2-one?
The IUPAC name of imidazolidin-2-one (CID 8453) is imidazolidin-2-one.
What is the SMILES notation for imidazolidin-2-one?
The canonical SMILES for imidazolidin-2-one is O=C1NCCN1.
What is the InChIKey of imidazolidin-2-one?
The InChIKey is YAMHXTCMCPHKLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N2O/c6-3-4-1-2-5-3/h1-2H2,(H2,4,5,6).
What are the key properties of imidazolidin-2-one?
imidazolidin-2-one has a molecular weight of 86.09 g/mol, XLogP of -0.70, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for imidazolidin-2-one is sourced from PubChem (CID 8453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).