N-(hydroperoxymethyl)-N-methylformamide

C3H7NO3 — CID 102152453

IUPACN-(hydroperoxymethyl)-N-methylformamide
SMILESCN(C=O)COO
InChIInChI=1S/C3H7NO3/c1-4(2-5)3-7-6/h2,6H,3H2,1H3
InChIKeyJJQAVWLXTVVKOG-UHFFFAOYSA-N
MW105.09 g/mol
LogP-0.48
Rot. Bonds3

About N-(hydroperoxymethyl)-N-methylformamide

N-(hydroperoxymethyl)-N-methylformamide (PubChem CID 102152453) has the molecular formula C3H7NO3 and a molecular weight of 105.09 g/mol. Its IUPAC name is N-(hydroperoxymethyl)-N-methylformamide.

Molecular Properties

Compound NameN-(hydroperoxymethyl)-N-methylformamide
PubChem CID102152453
Molecular FormulaC3H7NO3
Molecular Weight105.09 g/mol
Exact Mass105.04
IUPAC NameN-(hydroperoxymethyl)-N-methylformamide
SMILESCN(C=O)COO
InChIInChI=1S/C3H7NO3/c1-4(2-5)3-7-6/h2,6H,3H2,1H3
InChIKeyJJQAVWLXTVVKOG-UHFFFAOYSA-N
XLogP-0.48
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.09
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-(propan-2-yloxymethyl)formamide
CID 119098293
sodium N-methyl-N-(oxidosulfonothioyloxymethyl)formamide
CID 88779845
N-[(1-ethoxycyclopropyl)oxymethyl]-N-methylformamide
CID 15749122
N-(aminomethyl)-N-methylformamide
CID 57084326
N-ethyl-N-methylformamide;propane
CID 144948396
(dimethylamino)methyl-[[formyl(methyl)amino]methyl]phosphinic acid
CID 659707
2-[formyl(methyl)amino]acetic acid;hydrochloride
CID 141101166
N-methyl-N-(2-sulfanylethyl)formamide
CID 139923648
methyl 3-[formyl(methyl)amino]-2-methylpropanoate
CID 64992660
2-[formyl(methyl)amino]ethyl 2-methylpropanoate
CID 89217664
3-[formyl(methyl)amino]-2,2-dimethylpropanoic acid
CID 154708185
CID 159352431
CID 159352431

Frequently Asked Questions

What is the IUPAC name of N-(hydroperoxymethyl)-N-methylformamide?
The IUPAC name of N-(hydroperoxymethyl)-N-methylformamide (CID 102152453) is N-(hydroperoxymethyl)-N-methylformamide.
What is the SMILES notation for N-(hydroperoxymethyl)-N-methylformamide?
The canonical SMILES for N-(hydroperoxymethyl)-N-methylformamide is CN(C=O)COO.
What is the InChIKey of N-(hydroperoxymethyl)-N-methylformamide?
The InChIKey is JJQAVWLXTVVKOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO3/c1-4(2-5)3-7-6/h2,6H,3H2,1H3.
What are the key properties of N-(hydroperoxymethyl)-N-methylformamide?
N-(hydroperoxymethyl)-N-methylformamide has a molecular weight of 105.09 g/mol, XLogP of -0.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(hydroperoxymethyl)-N-methylformamide is sourced from PubChem (CID 102152453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).