1-methylaziridine-2,3-dione;hydrochloride

C3H4ClNO2 — CID 172854973

IUPAC1-methylaziridine-2,3-dione;hydrochloride
SMILESCl.Cn1c(=O)c1=O
InChIInChI=1S/C3H3NO2.ClH/c1-4-2(5)3(4)6;/h1H3;1H
InChIKeyYOOFHTFRBKQYJX-UHFFFAOYSA-N
MW121.52 g/mol
LogP-0.96
Rot. Bonds

About 1-methylaziridine-2,3-dione;hydrochloride

1-methylaziridine-2,3-dione;hydrochloride (PubChem CID 172854973) has the molecular formula C3H4ClNO2 and a molecular weight of 121.52 g/mol. Its IUPAC name is 1-methylaziridine-2,3-dione;hydrochloride.

Molecular Properties

Compound Name1-methylaziridine-2,3-dione;hydrochloride
PubChem CID172854973
Molecular FormulaC3H4ClNO2
Molecular Weight121.52 g/mol
Exact Mass120.99
IUPAC Name1-methylaziridine-2,3-dione;hydrochloride
SMILESCl.Cn1c(=O)c1=O
InChIInChI=1S/C3H3NO2.ClH/c1-4-2(5)3(4)6;/h1H3;1H
InChIKeyYOOFHTFRBKQYJX-UHFFFAOYSA-N
XLogP-0.96
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.52
LogP ≤ 5-0.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-amino-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 130207216
4-methyl-1,2,4-dithiazolidine-3,5-dione
CID 6539161
1,2,9-trimethylpurin-6-one
CID 59886903
2-ethyl-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 12944395
1,3,7-trimethylpurine-2,6-dione
CID 131953138
(5S,8R)-2,5,8-trimethyl-5,8-dihydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dione
CID 91753988
4-methyl-8,9-diphenyl-4-azatricyclo[5.2.1.02,6]deca-1(9),2(6),7-triene-3,5,10-trione
CID 175751034
iron;1,3,7-trimethylpurine-2,6-dione
CID 158445461
2-(3,5-dimethylphenyl)-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 59705832
3,4,5,6,7,8-hexafluoro-2-methylisoquinolin-1-one
CID 154192713
6-chloro-2,3-dimethyl-5-nitrosopyrimidin-4-one
CID 177234106
5,6-dimethyl-2,3-dihydro-1H-triazolo[4,5-d]pyrimidin-7-one
CID 143386784

Frequently Asked Questions

What is the IUPAC name of 1-methylaziridine-2,3-dione;hydrochloride?
The IUPAC name of 1-methylaziridine-2,3-dione;hydrochloride (CID 172854973) is 1-methylaziridine-2,3-dione;hydrochloride.
What is the SMILES notation for 1-methylaziridine-2,3-dione;hydrochloride?
The canonical SMILES for 1-methylaziridine-2,3-dione;hydrochloride is Cl.Cn1c(=O)c1=O.
What is the InChIKey of 1-methylaziridine-2,3-dione;hydrochloride?
The InChIKey is YOOFHTFRBKQYJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3NO2.ClH/c1-4-2(5)3(4)6;/h1H3;1H.
What are the key properties of 1-methylaziridine-2,3-dione;hydrochloride?
1-methylaziridine-2,3-dione;hydrochloride has a molecular weight of 121.52 g/mol, XLogP of -0.96, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylaziridine-2,3-dione;hydrochloride is sourced from PubChem (CID 172854973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).