methyl N-hydrazinylcarbamate;hydrate

C2H9N3O3 — CID 174928646

IUPACmethyl N-hydrazinylcarbamate;hydrate
SMILESCOC(=O)NNN.O
InChIInChI=1S/C2H7N3O2.H2O/c1-7-2(6)4-5-3;/h5H,3H2,1H3,(H,4,6);1H2
InChIKeyLXADNLAERSNDSD-UHFFFAOYSA-N
MW123.11 g/mol
LogP-2.10
Rot. Bonds1

About methyl N-hydrazinylcarbamate;hydrate

methyl N-hydrazinylcarbamate;hydrate (PubChem CID 174928646) has the molecular formula C2H9N3O3 and a molecular weight of 123.11 g/mol. Its IUPAC name is methyl N-hydrazinylcarbamate;hydrate.

Molecular Properties

Compound Namemethyl N-hydrazinylcarbamate;hydrate
PubChem CID174928646
Molecular FormulaC2H9N3O3
Molecular Weight123.11 g/mol
Exact Mass123.06
IUPAC Namemethyl N-hydrazinylcarbamate;hydrate
SMILESCOC(=O)NNN.O
InChIInChI=1S/C2H7N3O2.H2O/c1-7-2(6)4-5-3;/h5H,3H2,1H3,(H,4,6);1H2
InChIKeyLXADNLAERSNDSD-UHFFFAOYSA-N
XLogP-2.10
TPSA107.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.11
LogP ≤ 5-2.10
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
CID 90211551
methane;methyl N-(methylamino)carbamate
CID 157051214
N'-aminoacetohydrazide
CID 57207705
methyl N-(tert-butylamino)carbamate
CID 20626707
methyl N-(dimethylaminocarbamothioylamino)carbamate
CID 23352303
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
deuteride;methyl acetate;hydrate
CID 160772266
methyl N-sulfinooxycarbamate
CID 57298047

Frequently Asked Questions

What is the IUPAC name of methyl N-hydrazinylcarbamate;hydrate?
The IUPAC name of methyl N-hydrazinylcarbamate;hydrate (CID 174928646) is methyl N-hydrazinylcarbamate;hydrate.
What is the SMILES notation for methyl N-hydrazinylcarbamate;hydrate?
The canonical SMILES for methyl N-hydrazinylcarbamate;hydrate is COC(=O)NNN.O.
What is the InChIKey of methyl N-hydrazinylcarbamate;hydrate?
The InChIKey is LXADNLAERSNDSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7N3O2.H2O/c1-7-2(6)4-5-3;/h5H,3H2,1H3,(H,4,6);1H2.
What are the key properties of methyl N-hydrazinylcarbamate;hydrate?
methyl N-hydrazinylcarbamate;hydrate has a molecular weight of 123.11 g/mol, XLogP of -2.10, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-hydrazinylcarbamate;hydrate is sourced from PubChem (CID 174928646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).