1-(2-azidoethyl)-3-methylimidazolidin-2-one

C6H11N5O — CID 62490659

IUPAC1-(2-azidoethyl)-3-methylimidazolidin-2-one
SMILESCN1CCN(CCN=[N+]=[N-])C1=O
InChIInChI=1S/C6H11N5O/c1-10-4-5-11(6(10)12)3-2-8-9-7/h2-5H2,1H3
InChIKeyQTZFPMZLHQTLEN-UHFFFAOYSA-N
MW169.19 g/mol
LogP0.66
Rot. Bonds3

About 1-(2-azidoethyl)-3-methylimidazolidin-2-one

1-(2-azidoethyl)-3-methylimidazolidin-2-one (PubChem CID 62490659) has the molecular formula C6H11N5O and a molecular weight of 169.19 g/mol. Its IUPAC name is 1-(2-azidoethyl)-3-methylimidazolidin-2-one.

Molecular Properties

Compound Name1-(2-azidoethyl)-3-methylimidazolidin-2-one
PubChem CID62490659
Molecular FormulaC6H11N5O
Molecular Weight169.19 g/mol
Exact Mass169.10
IUPAC Name1-(2-azidoethyl)-3-methylimidazolidin-2-one
SMILESCN1CCN(CCN=[N+]=[N-])C1=O
InChIInChI=1S/C6H11N5O/c1-10-4-5-11(6(10)12)3-2-8-9-7/h2-5H2,1H3
InChIKeyQTZFPMZLHQTLEN-UHFFFAOYSA-N
XLogP0.66
TPSA72.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.19
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-azidoethyl)-3-methylimidazolidin-2-one?
The IUPAC name of 1-(2-azidoethyl)-3-methylimidazolidin-2-one (CID 62490659) is 1-(2-azidoethyl)-3-methylimidazolidin-2-one.
What is the SMILES notation for 1-(2-azidoethyl)-3-methylimidazolidin-2-one?
The canonical SMILES for 1-(2-azidoethyl)-3-methylimidazolidin-2-one is CN1CCN(CCN=[N+]=[N-])C1=O.
What is the InChIKey of 1-(2-azidoethyl)-3-methylimidazolidin-2-one?
The InChIKey is QTZFPMZLHQTLEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N5O/c1-10-4-5-11(6(10)12)3-2-8-9-7/h2-5H2,1H3.
What are the key properties of 1-(2-azidoethyl)-3-methylimidazolidin-2-one?
1-(2-azidoethyl)-3-methylimidazolidin-2-one has a molecular weight of 169.19 g/mol, XLogP of 0.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-azidoethyl)-3-methylimidazolidin-2-one is sourced from PubChem (CID 62490659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).