(3S)-1-(2-methylpropyl)spiro[4H-quinoline-3,3'-pyrrolidine]-2-one

C16H22N2O — CID 97449361

IUPAC(3S)-1-(2-methylpropyl)spiro[4H-quinoline-3,3'-pyrrolidine]-2-one
SMILESCC(C)CN1C(=O)[C@]2(CCNC2)Cc2ccccc21
InChIInChI=1S/C16H22N2O/c1-12(2)10-18-14-6-4-3-5-13(14)9-16(15(18)19)7-8-17-11-16/h3-6,12,17H,7-11H2,1-2H3/t16-/m1/s1
InChIKeyNXOWAHKSPJTGPA-MRXNPFEDSA-N
MW258.37 g/mol
LogP2.21
Rot. Bonds2

About (3S)-1-(2-methylpropyl)spiro[4H-quinoline-3,3'-pyrrolidine]-2-one

(3S)-1-(2-methylpropyl)spiro[4H-quinoline-3,3'-pyrrolidine]-2-one (PubChem CID 97449361) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is (3S)-1-(2-methylpropyl)spiro[4H-quinoline-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name(3S)-1-(2-methylpropyl)spiro[4H-quinoline-3,3'-pyrrolidine]-2-one
PubChem CID97449361
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name(3S)-1-(2-methylpropyl)spiro[4H-quinoline-3,3'-pyrrolidine]-2-one
SMILESCC(C)CN1C(=O)[C@]2(CCNC2)Cc2ccccc21
InChIInChI=1S/C16H22N2O/c1-12(2)10-18-14-6-4-3-5-13(14)9-16(15(18)19)7-8-17-11-16/h3-6,12,17H,7-11H2,1-2H3/t16-/m1/s1
InChIKeyNXOWAHKSPJTGPA-MRXNPFEDSA-N
XLogP2.21
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2-methylpropyl)spiro[4H-quinoline-3,3'-pyrrolidine]-2-one?
The IUPAC name of (3S)-1-(2-methylpropyl)spiro[4H-quinoline-3,3'-pyrrolidine]-2-one (CID 97449361) is (3S)-1-(2-methylpropyl)spiro[4H-quinoline-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for (3S)-1-(2-methylpropyl)spiro[4H-quinoline-3,3'-pyrrolidine]-2-one?
The canonical SMILES for (3S)-1-(2-methylpropyl)spiro[4H-quinoline-3,3'-pyrrolidine]-2-one is CC(C)CN1C(=O)[C@]2(CCNC2)Cc2ccccc21.
What is the InChIKey of (3S)-1-(2-methylpropyl)spiro[4H-quinoline-3,3'-pyrrolidine]-2-one?
The InChIKey is NXOWAHKSPJTGPA-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H22N2O/c1-12(2)10-18-14-6-4-3-5-13(14)9-16(15(18)19)7-8-17-11-16/h3-6,12,17H,7-11H2,1-2H3/t16-/m1/s1.
What are the key properties of (3S)-1-(2-methylpropyl)spiro[4H-quinoline-3,3'-pyrrolidine]-2-one?
(3S)-1-(2-methylpropyl)spiro[4H-quinoline-3,3'-pyrrolidine]-2-one has a molecular weight of 258.37 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2-methylpropyl)spiro[4H-quinoline-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 97449361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).