N-phenoxyformamide

C7H7NO2 — CID 22314519

IUPACN-phenoxyformamide
SMILESO=CNOc1ccccc1
InChIInChI=1S/C7H7NO2/c9-6-8-10-7-4-2-1-3-5-7/h1-6H,(H,8,9)
InChIKeyLSQIHQZWWGSUPF-UHFFFAOYSA-N
MW137.14 g/mol
LogP0.73
Rot. Bonds3

About N-phenoxyformamide

N-phenoxyformamide (PubChem CID 22314519) has the molecular formula C7H7NO2 and a molecular weight of 137.14 g/mol. Its IUPAC name is N-phenoxyformamide.

Molecular Properties

Compound NameN-phenoxyformamide
PubChem CID22314519
Molecular FormulaC7H7NO2
Molecular Weight137.14 g/mol
Exact Mass137.05
IUPAC NameN-phenoxyformamide
SMILESO=CNOc1ccccc1
InChIInChI=1S/C7H7NO2/c9-6-8-10-7-4-2-1-3-5-7/h1-6H,(H,8,9)
InChIKeyLSQIHQZWWGSUPF-UHFFFAOYSA-N
XLogP0.73
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.14
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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 N-phenoxyformamide?
The IUPAC name of N-phenoxyformamide (CID 22314519) is N-phenoxyformamide.
What is the SMILES notation for N-phenoxyformamide?
The canonical SMILES for N-phenoxyformamide is O=CNOc1ccccc1.
What is the InChIKey of N-phenoxyformamide?
The InChIKey is LSQIHQZWWGSUPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO2/c9-6-8-10-7-4-2-1-3-5-7/h1-6H,(H,8,9).
What are the key properties of N-phenoxyformamide?
N-phenoxyformamide has a molecular weight of 137.14 g/mol, XLogP of 0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenoxyformamide is sourced from PubChem (CID 22314519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).