N-(2-phenylethenoxy)formamide

C9H9NO2 — CID 173336049

IUPACN-(2-phenylethenoxy)formamide
SMILESO=CNOC=Cc1ccccc1
InChIInChI=1S/C9H9NO2/c11-8-10-12-7-6-9-4-2-1-3-5-9/h1-8H,(H,10,11)
InChIKeyRHHSILPAZBCVDC-UHFFFAOYSA-N
MW163.18 g/mol
LogP1.33
Rot. Bonds4

About N-(2-phenylethenoxy)formamide

N-(2-phenylethenoxy)formamide (PubChem CID 173336049) has the molecular formula C9H9NO2 and a molecular weight of 163.18 g/mol. Its IUPAC name is N-(2-phenylethenoxy)formamide.

Molecular Properties

Compound NameN-(2-phenylethenoxy)formamide
PubChem CID173336049
Molecular FormulaC9H9NO2
Molecular Weight163.18 g/mol
Exact Mass163.06
IUPAC NameN-(2-phenylethenoxy)formamide
SMILESO=CNOC=Cc1ccccc1
InChIInChI=1S/C9H9NO2/c11-8-10-12-7-6-9-4-2-1-3-5-9/h1-8H,(H,10,11)
InChIKeyRHHSILPAZBCVDC-UHFFFAOYSA-N
XLogP1.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

oxo-bis(2-phenylethenoxy)phosphanium
CID 57163740
oxo-bis[(E)-2-phenylethenoxy]phosphanium
CID 18676604
2-phenylethenyl hypochlorite
CID 174846966
2-(chloromethoxy)ethenylbenzene
CID 54484183
3-oxo-3-(2-phenylethenoxy)propanoic acid
CID 89421619
2-(2-chloroethoxy)ethenylbenzene
CID 54340888
CID 70567885
CID 70567885
CID 70569152
CID 70569152
2-phenylethenyl 3-phenylprop-2-enoate
CID 56982570
alumane;(E)-3-phenylprop-2-enal
CID 173462374
N-(2-phenylethenylcarbamoyl)formamide
CID 174605369
4-phenylbut-3-enyl formate
CID 91350820

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethenoxy)formamide?
The IUPAC name of N-(2-phenylethenoxy)formamide (CID 173336049) is N-(2-phenylethenoxy)formamide.
What is the SMILES notation for N-(2-phenylethenoxy)formamide?
The canonical SMILES for N-(2-phenylethenoxy)formamide is O=CNOC=Cc1ccccc1.
What is the InChIKey of N-(2-phenylethenoxy)formamide?
The InChIKey is RHHSILPAZBCVDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO2/c11-8-10-12-7-6-9-4-2-1-3-5-9/h1-8H,(H,10,11).
What are the key properties of N-(2-phenylethenoxy)formamide?
N-(2-phenylethenoxy)formamide has a molecular weight of 163.18 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethenoxy)formamide is sourced from PubChem (CID 173336049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).