methyl N-hydrazinylcarbamate

C2H7N3O2 — CID 90211551

IUPACmethyl N-hydrazinylcarbamate
SMILESCOC(=O)NNN
InChIInChI=1S/C2H7N3O2/c1-7-2(6)4-5-3/h5H,3H2,1H3,(H,4,6)
InChIKeyPDSPMGBBZNHGLB-UHFFFAOYSA-N
MW105.10 g/mol
LogP-1.28
Rot. Bonds1

About methyl N-hydrazinylcarbamate

methyl N-hydrazinylcarbamate (PubChem CID 90211551) has the molecular formula C2H7N3O2 and a molecular weight of 105.10 g/mol. Its IUPAC name is methyl N-hydrazinylcarbamate.

Molecular Properties

Compound Namemethyl N-hydrazinylcarbamate
PubChem CID90211551
Molecular FormulaC2H7N3O2
Molecular Weight105.10 g/mol
Exact Mass105.05
IUPAC Namemethyl N-hydrazinylcarbamate
SMILESCOC(=O)NNN
InChIInChI=1S/C2H7N3O2/c1-7-2(6)4-5-3/h5H,3H2,1H3,(H,4,6)
InChIKeyPDSPMGBBZNHGLB-UHFFFAOYSA-N
XLogP-1.28
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.10
LogP ≤ 5-1.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl N-hydrazinylcarbamate;hydrate
CID 174928646
methane;methyl N-(methylamino)carbamate
CID 157051214
N'-aminoacetohydrazide
CID 57207705
methyl N-(tert-butylamino)carbamate
CID 20626707
methyl N-fluorocarbamate
CID 22621139
ethane;bis(methyl N-methylcarbamate)
CID 91355167
methane;bis(methyl N-methylcarbamate)
CID 159560145
benzyl N-(methoxycarbonylamino)carbamate
CID 71669783
methyl N-(azetidine-1-carbonylamino)carbamate
CID 130618918
methyl N-sulfinooxycarbamate
CID 57298047
methyl 2-hydroxy-2-(methoxycarbonylamino)acetate
CID 11412561
methyl N-[3-(methoxycarbonylamino)-2,2-dimethylpropyl]carbamate
CID 2165580

Frequently Asked Questions

What is the IUPAC name of methyl N-hydrazinylcarbamate?
The IUPAC name of methyl N-hydrazinylcarbamate (CID 90211551) is methyl N-hydrazinylcarbamate.
What is the SMILES notation for methyl N-hydrazinylcarbamate?
The canonical SMILES for methyl N-hydrazinylcarbamate is COC(=O)NNN.
What is the InChIKey of methyl N-hydrazinylcarbamate?
The InChIKey is PDSPMGBBZNHGLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7N3O2/c1-7-2(6)4-5-3/h5H,3H2,1H3,(H,4,6).
What are the key properties of methyl N-hydrazinylcarbamate?
methyl N-hydrazinylcarbamate has a molecular weight of 105.10 g/mol, XLogP of -1.28, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-hydrazinylcarbamate is sourced from PubChem (CID 90211551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).