methyl 3-oxo-2-phenylazetidine-1-carboxylate

C11H11NO3 — CID 15110746

IUPACmethyl 3-oxo-2-phenylazetidine-1-carboxylate
SMILESCOC(=O)N1CC(=O)C1c1ccccc1
InChIInChI=1S/C11H11NO3/c1-15-11(14)12-7-9(13)10(12)8-5-3-2-4-6-8/h2-6,10H,7H2,1H3
InChIKeyYFLTWVPNWXRCQL-UHFFFAOYSA-N
MW205.21 g/mol
LogP1.38
Rot. Bonds1

About methyl 3-oxo-2-phenylazetidine-1-carboxylate

methyl 3-oxo-2-phenylazetidine-1-carboxylate (PubChem CID 15110746) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is methyl 3-oxo-2-phenylazetidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-oxo-2-phenylazetidine-1-carboxylate
PubChem CID15110746
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Namemethyl 3-oxo-2-phenylazetidine-1-carboxylate
SMILESCOC(=O)N1CC(=O)C1c1ccccc1
InChIInChI=1S/C11H11NO3/c1-15-11(14)12-7-9(13)10(12)8-5-3-2-4-6-8/h2-6,10H,7H2,1H3
InChIKeyYFLTWVPNWXRCQL-UHFFFAOYSA-N
XLogP1.38
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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tert-butyl 3-oxo-2-phenylpyrrolidine-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of methyl 3-oxo-2-phenylazetidine-1-carboxylate?
The IUPAC name of methyl 3-oxo-2-phenylazetidine-1-carboxylate (CID 15110746) is methyl 3-oxo-2-phenylazetidine-1-carboxylate.
What is the SMILES notation for methyl 3-oxo-2-phenylazetidine-1-carboxylate?
The canonical SMILES for methyl 3-oxo-2-phenylazetidine-1-carboxylate is COC(=O)N1CC(=O)C1c1ccccc1.
What is the InChIKey of methyl 3-oxo-2-phenylazetidine-1-carboxylate?
The InChIKey is YFLTWVPNWXRCQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c1-15-11(14)12-7-9(13)10(12)8-5-3-2-4-6-8/h2-6,10H,7H2,1H3.
What are the key properties of methyl 3-oxo-2-phenylazetidine-1-carboxylate?
methyl 3-oxo-2-phenylazetidine-1-carboxylate has a molecular weight of 205.21 g/mol, XLogP of 1.38, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-oxo-2-phenylazetidine-1-carboxylate is sourced from PubChem (CID 15110746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).