benzyl 3-phenylazetidine-1-carboxylate

C17H17NO2 — CID 71721233

IUPACbenzyl 3-phenylazetidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CC(c2ccccc2)C1
InChIInChI=1S/C17H17NO2/c19-17(20-13-14-7-3-1-4-8-14)18-11-16(12-18)15-9-5-2-6-10-15/h1-10,16H,11-13H2
InChIKeyMHEJZDSQIPBMCN-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.42
Rot. Bonds3

About benzyl 3-phenylazetidine-1-carboxylate

benzyl 3-phenylazetidine-1-carboxylate (PubChem CID 71721233) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is benzyl 3-phenylazetidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 3-phenylazetidine-1-carboxylate
PubChem CID71721233
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Namebenzyl 3-phenylazetidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CC(c2ccccc2)C1
InChIInChI=1S/C17H17NO2/c19-17(20-13-14-7-3-1-4-8-14)18-11-16(12-18)15-9-5-2-6-10-15/h1-10,16H,11-13H2
InChIKeyMHEJZDSQIPBMCN-UHFFFAOYSA-N
XLogP3.42
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of benzyl 3-phenylazetidine-1-carboxylate?
The IUPAC name of benzyl 3-phenylazetidine-1-carboxylate (CID 71721233) is benzyl 3-phenylazetidine-1-carboxylate.
What is the SMILES notation for benzyl 3-phenylazetidine-1-carboxylate?
The canonical SMILES for benzyl 3-phenylazetidine-1-carboxylate is O=C(OCc1ccccc1)N1CC(c2ccccc2)C1.
What is the InChIKey of benzyl 3-phenylazetidine-1-carboxylate?
The InChIKey is MHEJZDSQIPBMCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c19-17(20-13-14-7-3-1-4-8-14)18-11-16(12-18)15-9-5-2-6-10-15/h1-10,16H,11-13H2.
What are the key properties of benzyl 3-phenylazetidine-1-carboxylate?
benzyl 3-phenylazetidine-1-carboxylate has a molecular weight of 267.33 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-phenylazetidine-1-carboxylate is sourced from PubChem (CID 71721233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).