carbonoperoxoic acid;N-methylmethanamine

C3H9NO4 — CID 129093967

IUPACcarbonoperoxoic acid;N-methylmethanamine
SMILESCNC.O=C(O)OO
InChIInChI=1S/C2H7N.CH2O4/c1-3-2;2-1(3)5-4/h3H,1-2H3;4H,(H,2,3)
InChIKeyLYCBXFWFLXHFBY-UHFFFAOYSA-N
MW123.11 g/mol
LogP-0.01
Rot. Bonds

About carbonoperoxoic acid;N-methylmethanamine

carbonoperoxoic acid;N-methylmethanamine (PubChem CID 129093967) has the molecular formula C3H9NO4 and a molecular weight of 123.11 g/mol. Its IUPAC name is carbonoperoxoic acid;N-methylmethanamine.

Molecular Properties

Compound Namecarbonoperoxoic acid;N-methylmethanamine
PubChem CID129093967
Molecular FormulaC3H9NO4
Molecular Weight123.11 g/mol
Exact Mass123.05
IUPAC Namecarbonoperoxoic acid;N-methylmethanamine
SMILESCNC.O=C(O)OO
InChIInChI=1S/C2H7N.CH2O4/c1-3-2;2-1(3)5-4/h3H,1-2H3;4H,(H,2,3)
InChIKeyLYCBXFWFLXHFBY-UHFFFAOYSA-N
XLogP-0.01
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.11
LogP ≤ 5-0.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

carbonoperoxoic acid;iron
CID 87244357
carbonoperoxoic acid;silane
CID 175161162
carbonic acid;carbonoperoxoic acid
CID 87881933
heptasodium;carbonoperoxoic acid;hydride
CID 173320073
carbonic acid;N-methylmethanamine
CID 173471204
carbonoperoxoic acid;prop-1-ene
CID 134330161
carbonic acid;methyl hydrogen carbonate
CID 175554276
magnesium;alumane;carbonoperoxoic acid;hydride;molecular hydrogen
CID 173302094
methylurea;ruthenium
CID 159209634
methyl hydrogen carbonate;propan-2-one
CID 157174234
dimethylsilane;methyl hydrogen carbonate
CID 175108197
hydroxy methyl carbonate
CID 158464551

Frequently Asked Questions

What is the IUPAC name of carbonoperoxoic acid;N-methylmethanamine?
The IUPAC name of carbonoperoxoic acid;N-methylmethanamine (CID 129093967) is carbonoperoxoic acid;N-methylmethanamine.
What is the SMILES notation for carbonoperoxoic acid;N-methylmethanamine?
The canonical SMILES for carbonoperoxoic acid;N-methylmethanamine is CNC.O=C(O)OO.
What is the InChIKey of carbonoperoxoic acid;N-methylmethanamine?
The InChIKey is LYCBXFWFLXHFBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7N.CH2O4/c1-3-2;2-1(3)5-4/h3H,1-2H3;4H,(H,2,3).
What are the key properties of carbonoperoxoic acid;N-methylmethanamine?
carbonoperoxoic acid;N-methylmethanamine has a molecular weight of 123.11 g/mol, XLogP of -0.01, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbonoperoxoic acid;N-methylmethanamine is sourced from PubChem (CID 129093967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).