hydrazinyl (4-nitrophenyl)methyl carbonate

C8H9N3O5 — CID 54150427

IUPAChydrazinyl (4-nitrophenyl)methyl carbonate
SMILESNNOC(=O)OCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C8H9N3O5/c9-10-16-8(12)15-5-6-1-3-7(4-2-6)11(13)14/h1-4,10H,5,9H2
InChIKeyVZMJNRIOYRQVHV-UHFFFAOYSA-N
MW227.18 g/mol
LogP0.63
Rot. Bonds4

About hydrazinyl (4-nitrophenyl)methyl carbonate

hydrazinyl (4-nitrophenyl)methyl carbonate (PubChem CID 54150427) has the molecular formula C8H9N3O5 and a molecular weight of 227.18 g/mol. Its IUPAC name is hydrazinyl (4-nitrophenyl)methyl carbonate.

Molecular Properties

Compound Namehydrazinyl (4-nitrophenyl)methyl carbonate
PubChem CID54150427
Molecular FormulaC8H9N3O5
Molecular Weight227.18 g/mol
Exact Mass227.05
IUPAC Namehydrazinyl (4-nitrophenyl)methyl carbonate
SMILESNNOC(=O)OCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C8H9N3O5/c9-10-16-8(12)15-5-6-1-3-7(4-2-6)11(13)14/h1-4,10H,5,9H2
InChIKeyVZMJNRIOYRQVHV-UHFFFAOYSA-N
XLogP0.63
TPSA116.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.18
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(4-nitrophenyl)methyl prop-2-enyl carbonate
CID 66609999
(4-nitrophenyl)methoxycarbonyl ethaneperoxoate
CID 162688007
bis[(4-nitrophenyl)methyl] (2R,3R)-2,3-dihydroxybutanedioate
CID 10432242
(4-nitrophenyl)methyl 3-chloro-3-oxopropanoate
CID 71324193
(4-nitrophenyl)methyl N-[(4-nitrophenyl)methyl]carbamate
CID 158564430
4-[(4-nitrobenzoyl)oxymethyl]benzoic acid
CID 126210852
bis[(4-nitrophenyl)methyl] benzene-1,2-dicarboxylate
CID 88636598
(4-nitrophenyl)methyl (2R)-2-aminopropanoate;hydrobromide
CID 56845406
carbonotrithioic acid;(4-nitrophenyl)methyl hydrogen carbonate
CID 174801367
(4-aminophenyl)methyl acetate;(4-nitrophenyl)methyl acetate
CID 159369560
(4-nitrophenyl)methyl (2S)-2-aminopropanoate;hydrobromide
CID 15924095
2-[carboxylatomethyl-[(4-nitrophenyl)methoxycarbonyl]amino]acetate
CID 7242960

Frequently Asked Questions

What is the IUPAC name of hydrazinyl (4-nitrophenyl)methyl carbonate?
The IUPAC name of hydrazinyl (4-nitrophenyl)methyl carbonate (CID 54150427) is hydrazinyl (4-nitrophenyl)methyl carbonate.
What is the SMILES notation for hydrazinyl (4-nitrophenyl)methyl carbonate?
The canonical SMILES for hydrazinyl (4-nitrophenyl)methyl carbonate is NNOC(=O)OCc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of hydrazinyl (4-nitrophenyl)methyl carbonate?
The InChIKey is VZMJNRIOYRQVHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O5/c9-10-16-8(12)15-5-6-1-3-7(4-2-6)11(13)14/h1-4,10H,5,9H2.
What are the key properties of hydrazinyl (4-nitrophenyl)methyl carbonate?
hydrazinyl (4-nitrophenyl)methyl carbonate has a molecular weight of 227.18 g/mol, XLogP of 0.63, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for hydrazinyl (4-nitrophenyl)methyl carbonate is sourced from PubChem (CID 54150427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).