2-(4-chlorophenyl)-1-[(7S)-7-pyrrolidin-1-yl-5-oxa-2-azaspiro[3.4]octan-2-yl]ethanone

C18H23ClN2O2 — CID 164630493

IUPAC2-(4-chlorophenyl)-1-[(7S)-7-pyrrolidin-1-yl-5-oxa-2-azaspiro[3.4]octan-2-yl]ethanone
SMILESO=C(Cc1ccc(Cl)cc1)N1CC2(C[C@H](N3CCCC3)CO2)C1
InChIInChI=1S/C18H23ClN2O2/c19-15-5-3-14(4-6-15)9-17(22)21-12-18(13-21)10-16(11-23-18)20-7-1-2-8-20/h3-6,16H,1-2,7-13H2/t16-/m0/s1
InChIKeyHATZLOIOQFZQDF-INIZCTEOSA-N
MW334.85 g/mol
LogP2.35
Rot. Bonds3

About 2-(4-chlorophenyl)-1-[(7S)-7-pyrrolidin-1-yl-5-oxa-2-azaspiro[3.4]octan-2-yl]ethanone

2-(4-chlorophenyl)-1-[(7S)-7-pyrrolidin-1-yl-5-oxa-2-azaspiro[3.4]octan-2-yl]ethanone (PubChem CID 164630493) has the molecular formula C18H23ClN2O2 and a molecular weight of 334.85 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-[(7S)-7-pyrrolidin-1-yl-5-oxa-2-azaspiro[3.4]octan-2-yl]ethanone.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-[(7S)-7-pyrrolidin-1-yl-5-oxa-2-azaspiro[3.4]octan-2-yl]ethanone
PubChem CID164630493
Molecular FormulaC18H23ClN2O2
Molecular Weight334.85 g/mol
Exact Mass334.14
IUPAC Name2-(4-chlorophenyl)-1-[(7S)-7-pyrrolidin-1-yl-5-oxa-2-azaspiro[3.4]octan-2-yl]ethanone
SMILESO=C(Cc1ccc(Cl)cc1)N1CC2(C[C@H](N3CCCC3)CO2)C1
InChIInChI=1S/C18H23ClN2O2/c19-15-5-3-14(4-6-15)9-17(22)21-12-18(13-21)10-16(11-23-18)20-7-1-2-8-20/h3-6,16H,1-2,7-13H2/t16-/m0/s1
InChIKeyHATZLOIOQFZQDF-INIZCTEOSA-N
XLogP2.35
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.85
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-[(7S)-7-pyrrolidin-1-yl-5-oxa-2-azaspiro[3.4]octan-2-yl]ethanone?
The IUPAC name of 2-(4-chlorophenyl)-1-[(7S)-7-pyrrolidin-1-yl-5-oxa-2-azaspiro[3.4]octan-2-yl]ethanone (CID 164630493) is 2-(4-chlorophenyl)-1-[(7S)-7-pyrrolidin-1-yl-5-oxa-2-azaspiro[3.4]octan-2-yl]ethanone.
What is the SMILES notation for 2-(4-chlorophenyl)-1-[(7S)-7-pyrrolidin-1-yl-5-oxa-2-azaspiro[3.4]octan-2-yl]ethanone?
The canonical SMILES for 2-(4-chlorophenyl)-1-[(7S)-7-pyrrolidin-1-yl-5-oxa-2-azaspiro[3.4]octan-2-yl]ethanone is O=C(Cc1ccc(Cl)cc1)N1CC2(C[C@H](N3CCCC3)CO2)C1.
What is the InChIKey of 2-(4-chlorophenyl)-1-[(7S)-7-pyrrolidin-1-yl-5-oxa-2-azaspiro[3.4]octan-2-yl]ethanone?
The InChIKey is HATZLOIOQFZQDF-INIZCTEOSA-N. The full InChI is InChI=1S/C18H23ClN2O2/c19-15-5-3-14(4-6-15)9-17(22)21-12-18(13-21)10-16(11-23-18)20-7-1-2-8-20/h3-6,16H,1-2,7-13H2/t16-/m0/s1.
What are the key properties of 2-(4-chlorophenyl)-1-[(7S)-7-pyrrolidin-1-yl-5-oxa-2-azaspiro[3.4]octan-2-yl]ethanone?
2-(4-chlorophenyl)-1-[(7S)-7-pyrrolidin-1-yl-5-oxa-2-azaspiro[3.4]octan-2-yl]ethanone has a molecular weight of 334.85 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-[(7S)-7-pyrrolidin-1-yl-5-oxa-2-azaspiro[3.4]octan-2-yl]ethanone is sourced from PubChem (CID 164630493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).