[hydrazinecarbonyloxy(1H-indol-3-yl)methyl] N-aminocarbamate

C11H13N5O4 — CID 67902992

IUPAC[hydrazinecarbonyloxy(1H-indol-3-yl)methyl] N-aminocarbamate
SMILESNNC(=O)OC(OC(=O)NN)c1c[nH]c2ccccc12
InChIInChI=1S/C11H13N5O4/c12-15-10(17)19-9(20-11(18)16-13)7-5-14-8-4-2-1-3-6(7)8/h1-5,9,14H,12-13H2,(H,15,17)(H,16,18)
InChIKeyXHVIJSXOLOOFLP-UHFFFAOYSA-N
MW279.26 g/mol
LogP0.37
Rot. Bonds3

About [hydrazinecarbonyloxy(1H-indol-3-yl)methyl] N-aminocarbamate

[hydrazinecarbonyloxy(1H-indol-3-yl)methyl] N-aminocarbamate (PubChem CID 67902992) has the molecular formula C11H13N5O4 and a molecular weight of 279.26 g/mol. Its IUPAC name is [hydrazinecarbonyloxy(1H-indol-3-yl)methyl] N-aminocarbamate.

Molecular Properties

Compound Name[hydrazinecarbonyloxy(1H-indol-3-yl)methyl] N-aminocarbamate
PubChem CID67902992
Molecular FormulaC11H13N5O4
Molecular Weight279.26 g/mol
Exact Mass279.10
IUPAC Name[hydrazinecarbonyloxy(1H-indol-3-yl)methyl] N-aminocarbamate
SMILESNNC(=O)OC(OC(=O)NN)c1c[nH]c2ccccc12
InChIInChI=1S/C11H13N5O4/c12-15-10(17)19-9(20-11(18)16-13)7-5-14-8-4-2-1-3-6(7)8/h1-5,9,14H,12-13H2,(H,15,17)(H,16,18)
InChIKeyXHVIJSXOLOOFLP-UHFFFAOYSA-N
XLogP0.37
TPSA144.49 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 50.37
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[(1R)-1-(1H-indol-3-yl)-2-methoxy-2-oxoethyl]azanium
CID 2374175
methyl 3-amino-2-(1H-indol-3-yl)propanoate
CID 11470824
methyl 2-(1H-indol-3-yl)-2-methoxyacetate
CID 13133991
ethyl 3-amino-2-(1H-indol-3-yl)-3-oxopropanoate
CID 67232223
2-amino-2-(1H-indol-3-yl)acetyl chloride
CID 88673710
(2R)-2-amino-2-(1H-indol-3-yl)acetaldehyde
CID 175028483
methyl 3-(1H-indol-3-yl)-2-nitrobutanoate
CID 2853837
ethyl 3,3,3-trifluoro-2-(1H-indol-3-yl)propanoate
CID 4527747
tert-butyl N-[(1S)-1-(1H-indol-3-yl)ethyl]carbamate
CID 102157867
2-hydroxy-2-(1H-indol-3-yl)-N-methylacetamide
CID 83532275
2-(1H-indol-3-yl)-2-(methylamino)acetic acid
CID 82469928
(3R)-3-(1H-indol-3-yl)-3-(phenylmethoxycarbonylamino)propanoic acid
CID 34177615

Frequently Asked Questions

What is the IUPAC name of [hydrazinecarbonyloxy(1H-indol-3-yl)methyl] N-aminocarbamate?
The IUPAC name of [hydrazinecarbonyloxy(1H-indol-3-yl)methyl] N-aminocarbamate (CID 67902992) is [hydrazinecarbonyloxy(1H-indol-3-yl)methyl] N-aminocarbamate.
What is the SMILES notation for [hydrazinecarbonyloxy(1H-indol-3-yl)methyl] N-aminocarbamate?
The canonical SMILES for [hydrazinecarbonyloxy(1H-indol-3-yl)methyl] N-aminocarbamate is NNC(=O)OC(OC(=O)NN)c1c[nH]c2ccccc12.
What is the InChIKey of [hydrazinecarbonyloxy(1H-indol-3-yl)methyl] N-aminocarbamate?
The InChIKey is XHVIJSXOLOOFLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O4/c12-15-10(17)19-9(20-11(18)16-13)7-5-14-8-4-2-1-3-6(7)8/h1-5,9,14H,12-13H2,(H,15,17)(H,16,18).
What are the key properties of [hydrazinecarbonyloxy(1H-indol-3-yl)methyl] N-aminocarbamate?
[hydrazinecarbonyloxy(1H-indol-3-yl)methyl] N-aminocarbamate has a molecular weight of 279.26 g/mol, XLogP of 0.37, 3 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [hydrazinecarbonyloxy(1H-indol-3-yl)methyl] N-aminocarbamate is sourced from PubChem (CID 67902992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).