1-(3-chlorophenyl)-3-(8-oxa-2-azaspiro[4.5]decan-2-yl)pyrrolidin-2-one

C18H23ClN2O2 — CID 71976776

IUPAC1-(3-chlorophenyl)-3-(8-oxa-2-azaspiro[4.5]decan-2-yl)pyrrolidin-2-one
SMILESO=C1C(N2CCC3(CCOCC3)C2)CCN1c1cccc(Cl)c1
InChIInChI=1S/C18H23ClN2O2/c19-14-2-1-3-15(12-14)21-8-4-16(17(21)22)20-9-5-18(13-20)6-10-23-11-7-18/h1-3,12,16H,4-11,13H2
InChIKeyBIXPAYCTBBJQAN-UHFFFAOYSA-N
MW334.85 g/mol
LogP2.95
Rot. Bonds2

About 1-(3-chlorophenyl)-3-(8-oxa-2-azaspiro[4.5]decan-2-yl)pyrrolidin-2-one

1-(3-chlorophenyl)-3-(8-oxa-2-azaspiro[4.5]decan-2-yl)pyrrolidin-2-one (PubChem CID 71976776) has the molecular formula C18H23ClN2O2 and a molecular weight of 334.85 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-(8-oxa-2-azaspiro[4.5]decan-2-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-(8-oxa-2-azaspiro[4.5]decan-2-yl)pyrrolidin-2-one
PubChem CID71976776
Molecular FormulaC18H23ClN2O2
Molecular Weight334.85 g/mol
Exact Mass334.14
IUPAC Name1-(3-chlorophenyl)-3-(8-oxa-2-azaspiro[4.5]decan-2-yl)pyrrolidin-2-one
SMILESO=C1C(N2CCC3(CCOCC3)C2)CCN1c1cccc(Cl)c1
InChIInChI=1S/C18H23ClN2O2/c19-14-2-1-3-15(12-14)21-8-4-16(17(21)22)20-9-5-18(13-20)6-10-23-11-7-18/h1-3,12,16H,4-11,13H2
InChIKeyBIXPAYCTBBJQAN-UHFFFAOYSA-N
XLogP2.95
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.85
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-(8-oxa-2-azaspiro[4.5]decan-2-yl)pyrrolidin-2-one?
The IUPAC name of 1-(3-chlorophenyl)-3-(8-oxa-2-azaspiro[4.5]decan-2-yl)pyrrolidin-2-one (CID 71976776) is 1-(3-chlorophenyl)-3-(8-oxa-2-azaspiro[4.5]decan-2-yl)pyrrolidin-2-one.
What is the SMILES notation for 1-(3-chlorophenyl)-3-(8-oxa-2-azaspiro[4.5]decan-2-yl)pyrrolidin-2-one?
The canonical SMILES for 1-(3-chlorophenyl)-3-(8-oxa-2-azaspiro[4.5]decan-2-yl)pyrrolidin-2-one is O=C1C(N2CCC3(CCOCC3)C2)CCN1c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-3-(8-oxa-2-azaspiro[4.5]decan-2-yl)pyrrolidin-2-one?
The InChIKey is BIXPAYCTBBJQAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN2O2/c19-14-2-1-3-15(12-14)21-8-4-16(17(21)22)20-9-5-18(13-20)6-10-23-11-7-18/h1-3,12,16H,4-11,13H2.
What are the key properties of 1-(3-chlorophenyl)-3-(8-oxa-2-azaspiro[4.5]decan-2-yl)pyrrolidin-2-one?
1-(3-chlorophenyl)-3-(8-oxa-2-azaspiro[4.5]decan-2-yl)pyrrolidin-2-one has a molecular weight of 334.85 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-(8-oxa-2-azaspiro[4.5]decan-2-yl)pyrrolidin-2-one is sourced from PubChem (CID 71976776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).