1'-(2-methylpropyl)spiro[1,4-dihydroquinoline-3,3'-pyrrolidine]-2-one

C16H22N2O — CID 118739178

IUPAC1'-(2-methylpropyl)spiro[1,4-dihydroquinoline-3,3'-pyrrolidine]-2-one
SMILESCC(C)CN1CCC2(Cc3ccccc3NC2=O)C1
InChIInChI=1S/C16H22N2O/c1-12(2)10-18-8-7-16(11-18)9-13-5-3-4-6-14(13)17-15(16)19/h3-6,12H,7-11H2,1-2H3,(H,17,19)
InChIKeyQAUPEWYQXCTZMC-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.53
Rot. Bonds2

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

1'-(2-methylpropyl)spiro[1,4-dihydroquinoline-3,3'-pyrrolidine]-2-one (PubChem CID 118739178) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 1'-(2-methylpropyl)spiro[1,4-dihydroquinoline-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name1'-(2-methylpropyl)spiro[1,4-dihydroquinoline-3,3'-pyrrolidine]-2-one
PubChem CID118739178
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name1'-(2-methylpropyl)spiro[1,4-dihydroquinoline-3,3'-pyrrolidine]-2-one
SMILESCC(C)CN1CCC2(Cc3ccccc3NC2=O)C1
InChIInChI=1S/C16H22N2O/c1-12(2)10-18-8-7-16(11-18)9-13-5-3-4-6-14(13)17-15(16)19/h3-6,12H,7-11H2,1-2H3,(H,17,19)
InChIKeyQAUPEWYQXCTZMC-UHFFFAOYSA-N
XLogP2.53
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 ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1'-(2-methylpropyl)spiro[1,4-dihydroquinoline-3,3'-pyrrolidine]-2-one?
The IUPAC name of 1'-(2-methylpropyl)spiro[1,4-dihydroquinoline-3,3'-pyrrolidine]-2-one (CID 118739178) is 1'-(2-methylpropyl)spiro[1,4-dihydroquinoline-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for 1'-(2-methylpropyl)spiro[1,4-dihydroquinoline-3,3'-pyrrolidine]-2-one?
The canonical SMILES for 1'-(2-methylpropyl)spiro[1,4-dihydroquinoline-3,3'-pyrrolidine]-2-one is CC(C)CN1CCC2(Cc3ccccc3NC2=O)C1.
What is the InChIKey of 1'-(2-methylpropyl)spiro[1,4-dihydroquinoline-3,3'-pyrrolidine]-2-one?
The InChIKey is QAUPEWYQXCTZMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-12(2)10-18-8-7-16(11-18)9-13-5-3-4-6-14(13)17-15(16)19/h3-6,12H,7-11H2,1-2H3,(H,17,19).
What are the key properties of 1'-(2-methylpropyl)spiro[1,4-dihydroquinoline-3,3'-pyrrolidine]-2-one?
1'-(2-methylpropyl)spiro[1,4-dihydroquinoline-3,3'-pyrrolidine]-2-one has a molecular weight of 258.37 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(2-methylpropyl)spiro[1,4-dihydroquinoline-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 118739178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).