methylcarbamic acid;methylimino(oxo)methane

C4H8N2O3 — CID 161055798

IUPACmethylcarbamic acid;methylimino(oxo)methane
SMILESCN=C=O.CNC(=O)O
InChIInChI=1S/C2H5NO2.C2H3NO/c1-3-2(4)5;1-3-2-4/h3H,1H3,(H,4,5);1H3
InChIKeyUCSQJOPBJLHRLX-UHFFFAOYSA-N
MW132.12 g/mol
LogP-0.16
Rot. Bonds

About methylcarbamic acid;methylimino(oxo)methane

methylcarbamic acid;methylimino(oxo)methane (PubChem CID 161055798) has the molecular formula C4H8N2O3 and a molecular weight of 132.12 g/mol. Its IUPAC name is methylcarbamic acid;methylimino(oxo)methane.

Molecular Properties

Compound Namemethylcarbamic acid;methylimino(oxo)methane
PubChem CID161055798
Molecular FormulaC4H8N2O3
Molecular Weight132.12 g/mol
Exact Mass132.05
IUPAC Namemethylcarbamic acid;methylimino(oxo)methane
SMILESCN=C=O.CNC(=O)O
InChIInChI=1S/C2H5NO2.C2H3NO/c1-3-2(4)5;1-3-2-4/h3H,1H3,(H,4,5);1H3
InChIKeyUCSQJOPBJLHRLX-UHFFFAOYSA-N
XLogP-0.16
TPSA78.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.12
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isocyanate', 'substructure': 'N/A'}

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Related Compounds

N-methylcarbamoyl chloride;methylimino(oxo)methane
CID 162155810
methylimino(oxo)methane;N-methylmethanamine
CID 172719912
methylcarbamoyloxymethyl N-methylcarbamate;methylimino(oxo)methane
CID 162238586
methylimino(oxo)methane;2-methylpropan-2-ol
CID 91600333
iodoform;methylimino(oxo)methane
CID 123231601
1-[N'-(2,6-dimethylphenyl)carbamimidoyl]-1,3-dimethylurea;methylimino(oxo)methane
CID 20543515
acetic acid;N,N'-dimethylethanimidamide
CID 162316953
acetic acid;formic acid;isocyanatoethane;methylimino(oxo)methane
CID 158266010
2,3-dimethylbicyclo[2.2.0]hexa-1,3,5-triene;methylcarbamic acid
CID 70266137
methylimino(oxo)methane;propane-1,2,3-triol
CID 175123227
methylcarbamic acid;3-sulfanyliminobutanenitrile
CID 163566397
carbonic acid;N-methylmethanamine
CID 173471204

Frequently Asked Questions

What is the IUPAC name of methylcarbamic acid;methylimino(oxo)methane?
The IUPAC name of methylcarbamic acid;methylimino(oxo)methane (CID 161055798) is methylcarbamic acid;methylimino(oxo)methane.
What is the SMILES notation for methylcarbamic acid;methylimino(oxo)methane?
The canonical SMILES for methylcarbamic acid;methylimino(oxo)methane is CN=C=O.CNC(=O)O.
What is the InChIKey of methylcarbamic acid;methylimino(oxo)methane?
The InChIKey is UCSQJOPBJLHRLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5NO2.C2H3NO/c1-3-2(4)5;1-3-2-4/h3H,1H3,(H,4,5);1H3.
What are the key properties of methylcarbamic acid;methylimino(oxo)methane?
methylcarbamic acid;methylimino(oxo)methane has a molecular weight of 132.12 g/mol, XLogP of -0.16, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methylcarbamic acid;methylimino(oxo)methane is sourced from PubChem (CID 161055798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).