methyl N-[[(hydroxyamino)methylideneamino]methyl]carbamate

C4H9N3O3 — CID 57074247

IUPACmethyl N-[[(hydroxyamino)methylideneamino]methyl]carbamate
SMILESCOC(=O)NCN=CNO
InChIInChI=1S/C4H9N3O3/c1-10-4(8)6-2-5-3-7-9/h3,9H,2H2,1H3,(H,5,7)(H,6,8)
InChIKeyKKRFXWMOEXRUPF-UHFFFAOYSA-N
MW147.13 g/mol
LogP-0.69
Rot. Bonds3

About methyl N-[[(hydroxyamino)methylideneamino]methyl]carbamate

methyl N-[[(hydroxyamino)methylideneamino]methyl]carbamate (PubChem CID 57074247) has the molecular formula C4H9N3O3 and a molecular weight of 147.13 g/mol. Its IUPAC name is methyl N-[[(hydroxyamino)methylideneamino]methyl]carbamate.

Molecular Properties

Compound Namemethyl N-[[(hydroxyamino)methylideneamino]methyl]carbamate
PubChem CID57074247
Molecular FormulaC4H9N3O3
Molecular Weight147.13 g/mol
Exact Mass147.06
IUPAC Namemethyl N-[[(hydroxyamino)methylideneamino]methyl]carbamate
SMILESCOC(=O)NCN=CNO
InChIInChI=1S/C4H9N3O3/c1-10-4(8)6-2-5-3-7-9/h3,9H,2H2,1H3,(H,5,7)(H,6,8)
InChIKeyKKRFXWMOEXRUPF-UHFFFAOYSA-N
XLogP-0.69
TPSA82.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.13
LogP ≤ 5-0.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze methyl N-[[(hydroxyamino)methylideneamino]methyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl N-[[(hydroxyamino)methylideneamino]methyl]carbamate?
The IUPAC name of methyl N-[[(hydroxyamino)methylideneamino]methyl]carbamate (CID 57074247) is methyl N-[[(hydroxyamino)methylideneamino]methyl]carbamate.
What is the SMILES notation for methyl N-[[(hydroxyamino)methylideneamino]methyl]carbamate?
The canonical SMILES for methyl N-[[(hydroxyamino)methylideneamino]methyl]carbamate is COC(=O)NCN=CNO.
What is the InChIKey of methyl N-[[(hydroxyamino)methylideneamino]methyl]carbamate?
The InChIKey is KKRFXWMOEXRUPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N3O3/c1-10-4(8)6-2-5-3-7-9/h3,9H,2H2,1H3,(H,5,7)(H,6,8).
What are the key properties of methyl N-[[(hydroxyamino)methylideneamino]methyl]carbamate?
methyl N-[[(hydroxyamino)methylideneamino]methyl]carbamate has a molecular weight of 147.13 g/mol, XLogP of -0.69, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[[(hydroxyamino)methylideneamino]methyl]carbamate is sourced from PubChem (CID 57074247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).