[2-(hydrazinecarbonyloxy)-2-methyloxan-3-yl] N-aminocarbamate

C8H16N4O5 — CID 68796523

IUPAC[2-(hydrazinecarbonyloxy)-2-methyloxan-3-yl] N-aminocarbamate
SMILESCC1(OC(=O)NN)OCCCC1OC(=O)NN
InChIInChI=1S/C8H16N4O5/c1-8(17-7(14)12-10)5(3-2-4-15-8)16-6(13)11-9/h5H,2-4,9-10H2,1H3,(H,11,13)(H,12,14)
InChIKeyYIUJGLZWRLXYRM-UHFFFAOYSA-N
MW248.24 g/mol
LogP-0.92
Rot. Bonds2

About [2-(hydrazinecarbonyloxy)-2-methyloxan-3-yl] N-aminocarbamate

[2-(hydrazinecarbonyloxy)-2-methyloxan-3-yl] N-aminocarbamate (PubChem CID 68796523) has the molecular formula C8H16N4O5 and a molecular weight of 248.24 g/mol. Its IUPAC name is [2-(hydrazinecarbonyloxy)-2-methyloxan-3-yl] N-aminocarbamate.

Molecular Properties

Compound Name[2-(hydrazinecarbonyloxy)-2-methyloxan-3-yl] N-aminocarbamate
PubChem CID68796523
Molecular FormulaC8H16N4O5
Molecular Weight248.24 g/mol
Exact Mass248.11
IUPAC Name[2-(hydrazinecarbonyloxy)-2-methyloxan-3-yl] N-aminocarbamate
SMILESCC1(OC(=O)NN)OCCCC1OC(=O)NN
InChIInChI=1S/C8H16N4O5/c1-8(17-7(14)12-10)5(3-2-4-15-8)16-6(13)11-9/h5H,2-4,9-10H2,1H3,(H,11,13)(H,12,14)
InChIKeyYIUJGLZWRLXYRM-UHFFFAOYSA-N
XLogP-0.92
TPSA137.93 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 5-0.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(hydrazinecarbonyloxy)-2-methyloxan-3-yl] N-aminocarbamate?
The IUPAC name of [2-(hydrazinecarbonyloxy)-2-methyloxan-3-yl] N-aminocarbamate (CID 68796523) is [2-(hydrazinecarbonyloxy)-2-methyloxan-3-yl] N-aminocarbamate.
What is the SMILES notation for [2-(hydrazinecarbonyloxy)-2-methyloxan-3-yl] N-aminocarbamate?
The canonical SMILES for [2-(hydrazinecarbonyloxy)-2-methyloxan-3-yl] N-aminocarbamate is CC1(OC(=O)NN)OCCCC1OC(=O)NN.
What is the InChIKey of [2-(hydrazinecarbonyloxy)-2-methyloxan-3-yl] N-aminocarbamate?
The InChIKey is YIUJGLZWRLXYRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O5/c1-8(17-7(14)12-10)5(3-2-4-15-8)16-6(13)11-9/h5H,2-4,9-10H2,1H3,(H,11,13)(H,12,14).
What are the key properties of [2-(hydrazinecarbonyloxy)-2-methyloxan-3-yl] N-aminocarbamate?
[2-(hydrazinecarbonyloxy)-2-methyloxan-3-yl] N-aminocarbamate has a molecular weight of 248.24 g/mol, XLogP of -0.92, 2 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hydrazinecarbonyloxy)-2-methyloxan-3-yl] N-aminocarbamate is sourced from PubChem (CID 68796523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).