4-methyl-1,3-dinitrosoimidazolidine

C4H8N4O2 — CID 13380517

IUPAC4-methyl-1,3-dinitrosoimidazolidine
SMILESCC1CN(N=O)CN1N=O
InChIInChI=1S/C4H8N4O2/c1-4-2-7(5-9)3-8(4)6-10/h4H,2-3H2,1H3
InChIKeyCQPQMRCVCLEYCC-UHFFFAOYSA-N
MW144.13 g/mol
LogP0.31
Rot. Bonds2

About 4-methyl-1,3-dinitrosoimidazolidine

4-methyl-1,3-dinitrosoimidazolidine (PubChem CID 13380517) has the molecular formula C4H8N4O2 and a molecular weight of 144.13 g/mol. Its IUPAC name is 4-methyl-1,3-dinitrosoimidazolidine.

Molecular Properties

Compound Name4-methyl-1,3-dinitrosoimidazolidine
PubChem CID13380517
Molecular FormulaC4H8N4O2
Molecular Weight144.13 g/mol
Exact Mass144.06
IUPAC Name4-methyl-1,3-dinitrosoimidazolidine
SMILESCC1CN(N=O)CN1N=O
InChIInChI=1S/C4H8N4O2/c1-4-2-7(5-9)3-8(4)6-10/h4H,2-3H2,1H3
InChIKeyCQPQMRCVCLEYCC-UHFFFAOYSA-N
XLogP0.31
TPSA65.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.13
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,6-dimethyl-4-nitrosopiperazine-1-carboxylic acid
CID 45115699
(2S)-2-methyl-1-nitrosopiperazine
CID 172967702
3-methyl-1-nitrosopiperidine
CID 26131
(2R)-2-methyl-1-oxidoaziridine
CID 101244990
2-ethyl-5-methyl-3-nitroso-1,3-oxazolidine
CID 3029678
3-methyl-1,5-dinitroso-1,3,5-triazocane
CID 87945985
1-nitrosoazetidine-3-carbonitrile
CID 175679029
3,5,7-trinitroso-1,3,5,7-tetrazocan-1-amine
CID 134331489
(2S,4S)-4-hydroxy-1-nitrosopyrrolidine-2-carboxylic acid
CID 11953390
1-nitrosoazetidine-2-carboxylic acid
CID 542270
1-nitrosoazetidine
CID 27135
(2S,5S)-1,4-dihydroxy-2,5-dimethylpiperazine
CID 175346878

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1,3-dinitrosoimidazolidine?
The IUPAC name of 4-methyl-1,3-dinitrosoimidazolidine (CID 13380517) is 4-methyl-1,3-dinitrosoimidazolidine.
What is the SMILES notation for 4-methyl-1,3-dinitrosoimidazolidine?
The canonical SMILES for 4-methyl-1,3-dinitrosoimidazolidine is CC1CN(N=O)CN1N=O.
What is the InChIKey of 4-methyl-1,3-dinitrosoimidazolidine?
The InChIKey is CQPQMRCVCLEYCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N4O2/c1-4-2-7(5-9)3-8(4)6-10/h4H,2-3H2,1H3.
What are the key properties of 4-methyl-1,3-dinitrosoimidazolidine?
4-methyl-1,3-dinitrosoimidazolidine has a molecular weight of 144.13 g/mol, XLogP of 0.31, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,3-dinitrosoimidazolidine is sourced from PubChem (CID 13380517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).