2-phenylmethoxyacetohydrazide

C9H12N2O2 — CID 22480342

IUPAC2-phenylmethoxyacetohydrazide
SMILESNNC(=O)COCc1ccccc1
InChIInChI=1S/C9H12N2O2/c10-11-9(12)7-13-6-8-4-2-1-3-5-8/h1-5H,6-7,10H2,(H,11,12)
InChIKeyKYGYCAUNXCVLQM-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.19
Rot. Bonds4

About 2-phenylmethoxyacetohydrazide

2-phenylmethoxyacetohydrazide (PubChem CID 22480342) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 2-phenylmethoxyacetohydrazide.

Molecular Properties

Compound Name2-phenylmethoxyacetohydrazide
PubChem CID22480342
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name2-phenylmethoxyacetohydrazide
SMILESNNC(=O)COCc1ccccc1
InChIInChI=1S/C9H12N2O2/c10-11-9(12)7-13-6-8-4-2-1-3-5-8/h1-5H,6-7,10H2,(H,11,12)
InChIKeyKYGYCAUNXCVLQM-UHFFFAOYSA-N
XLogP0.19
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-phenylmethoxyacetohydrazide?
The IUPAC name of 2-phenylmethoxyacetohydrazide (CID 22480342) is 2-phenylmethoxyacetohydrazide.
What is the SMILES notation for 2-phenylmethoxyacetohydrazide?
The canonical SMILES for 2-phenylmethoxyacetohydrazide is NNC(=O)COCc1ccccc1.
What is the InChIKey of 2-phenylmethoxyacetohydrazide?
The InChIKey is KYGYCAUNXCVLQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c10-11-9(12)7-13-6-8-4-2-1-3-5-8/h1-5H,6-7,10H2,(H,11,12).
What are the key properties of 2-phenylmethoxyacetohydrazide?
2-phenylmethoxyacetohydrazide has a molecular weight of 180.21 g/mol, XLogP of 0.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylmethoxyacetohydrazide is sourced from PubChem (CID 22480342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).