(4-phenoxyphenyl) pyrrolidine-1-carboxylate

C17H17NO3 — CID 54080617

IUPAC(4-phenoxyphenyl) pyrrolidine-1-carboxylate
SMILESO=C(Oc1ccc(Oc2ccccc2)cc1)N1CCCC1
InChIInChI=1S/C17H17NO3/c19-17(18-12-4-5-13-18)21-16-10-8-15(9-11-16)20-14-6-2-1-3-7-14/h1-3,6-11H,4-5,12-13H2
InChIKeyMMVMFOZOTCAOIK-UHFFFAOYSA-N
MW283.33 g/mol
LogP4.07
Rot. Bonds3

About (4-phenoxyphenyl) pyrrolidine-1-carboxylate

(4-phenoxyphenyl) pyrrolidine-1-carboxylate (PubChem CID 54080617) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is (4-phenoxyphenyl) pyrrolidine-1-carboxylate.

Molecular Properties

Compound Name(4-phenoxyphenyl) pyrrolidine-1-carboxylate
PubChem CID54080617
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name(4-phenoxyphenyl) pyrrolidine-1-carboxylate
SMILESO=C(Oc1ccc(Oc2ccccc2)cc1)N1CCCC1
InChIInChI=1S/C17H17NO3/c19-17(18-12-4-5-13-18)21-16-10-8-15(9-11-16)20-14-6-2-1-3-7-14/h1-3,6-11H,4-5,12-13H2
InChIKeyMMVMFOZOTCAOIK-UHFFFAOYSA-N
XLogP4.07
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-phenoxyphenyl) thiomorpholine-4-carboxylate
CID 15225159
(4-phenoxyphenyl) 4-phenylpiperidine-1-carboxylate
CID 15225155
phenyl 4-(piperidine-1-carbonyl)piperidine-1-carboxylate
CID 141023786
phenyl 4-methyl-1,4-diazepane-1-carboxylate
CID 60637805
phenyl 4-(cyclobutanecarbonyl)-1,4-diazepane-1-carboxylate
CID 110799294
diphenyl diazinane-1,2-dicarboxylate
CID 139696788
(4-phenoxyphenyl)-piperidin-1-ylmethanone
CID 112759363
phenyl 4-phenyl-1,4-diazepane-1-carboxylate
CID 110873802
(4-fluorophenyl) piperidine-1-carboxylate
CID 895621
[1-[1-(4-phenoxyphenoxy)carbonylpiperidin-4-yl]oxycarbonylpiperidin-4-yl] 8-azaspiro[4.5]decane-8-carboxylate
CID 67800674
phenyl 4-cyclopentylpiperazine-1-carboxylate
CID 60745355
phenyl 3-pyrrolidin-1-ylpiperidine-1-carboxylate
CID 63719182

Frequently Asked Questions

What is the IUPAC name of (4-phenoxyphenyl) pyrrolidine-1-carboxylate?
The IUPAC name of (4-phenoxyphenyl) pyrrolidine-1-carboxylate (CID 54080617) is (4-phenoxyphenyl) pyrrolidine-1-carboxylate.
What is the SMILES notation for (4-phenoxyphenyl) pyrrolidine-1-carboxylate?
The canonical SMILES for (4-phenoxyphenyl) pyrrolidine-1-carboxylate is O=C(Oc1ccc(Oc2ccccc2)cc1)N1CCCC1.
What is the InChIKey of (4-phenoxyphenyl) pyrrolidine-1-carboxylate?
The InChIKey is MMVMFOZOTCAOIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c19-17(18-12-4-5-13-18)21-16-10-8-15(9-11-16)20-14-6-2-1-3-7-14/h1-3,6-11H,4-5,12-13H2.
What are the key properties of (4-phenoxyphenyl) pyrrolidine-1-carboxylate?
(4-phenoxyphenyl) pyrrolidine-1-carboxylate has a molecular weight of 283.33 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenoxyphenyl) pyrrolidine-1-carboxylate is sourced from PubChem (CID 54080617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).