phenyl 2-ethoxyiminopropanoate

C11H13NO3 — CID 175344932

IUPACphenyl 2-ethoxyiminopropanoate
SMILESCCON=C(C)C(=O)Oc1ccccc1
InChIInChI=1S/C11H13NO3/c1-3-14-12-9(2)11(13)15-10-7-5-4-6-8-10/h4-8H,3H2,1-2H3
InChIKeyFHQZBSANWHKKQF-UHFFFAOYSA-N
MW207.23 g/mol
LogP2.00
Rot. Bonds4

About phenyl 2-ethoxyiminopropanoate

phenyl 2-ethoxyiminopropanoate (PubChem CID 175344932) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is phenyl 2-ethoxyiminopropanoate.

Molecular Properties

Compound Namephenyl 2-ethoxyiminopropanoate
PubChem CID175344932
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Namephenyl 2-ethoxyiminopropanoate
SMILESCCON=C(C)C(=O)Oc1ccccc1
InChIInChI=1S/C11H13NO3/c1-3-14-12-9(2)11(13)15-10-7-5-4-6-8-10/h4-8H,3H2,1-2H3
InChIKeyFHQZBSANWHKKQF-UHFFFAOYSA-N
XLogP2.00
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

phenyl 2-(3-oxo-3-phenoxyprop-1-en-2-yl)iminopropanoate
CID 129228349
diphenyl oxalate;ethane
CID 162013592
(2Z)-2-ethoxyiminopropanoic acid
CID 55298228
phenyl 2,3-dioxobutanoate
CID 125499632
2-ethoxyimino-3-phenylpropanoic acid
CID 74377633
diphenyl carbonate;ethoxyethane
CID 67230205
phenyl N-ethoxy-N-[ethoxy(phenoxycarbonyl)amino]carbamate
CID 168878000
phenyl 2-methyl-4-phenylbut-2-enoate
CID 174690725
phenyl propanoate
CID 161258381
2-O-chloro 1-O-phenyl oxalate
CID 54251565
2-N,3-N-diethoxybutane-2,3-diimine
CID 20677078
ethyl dihydrogen phosphate;phenyl 2-methylprop-2-enoate
CID 70555588

Frequently Asked Questions

What is the IUPAC name of phenyl 2-ethoxyiminopropanoate?
The IUPAC name of phenyl 2-ethoxyiminopropanoate (CID 175344932) is phenyl 2-ethoxyiminopropanoate.
What is the SMILES notation for phenyl 2-ethoxyiminopropanoate?
The canonical SMILES for phenyl 2-ethoxyiminopropanoate is CCON=C(C)C(=O)Oc1ccccc1.
What is the InChIKey of phenyl 2-ethoxyiminopropanoate?
The InChIKey is FHQZBSANWHKKQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-3-14-12-9(2)11(13)15-10-7-5-4-6-8-10/h4-8H,3H2,1-2H3.
What are the key properties of phenyl 2-ethoxyiminopropanoate?
phenyl 2-ethoxyiminopropanoate has a molecular weight of 207.23 g/mol, XLogP of 2.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 2-ethoxyiminopropanoate is sourced from PubChem (CID 175344932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).