1'-(2,2-dimethylpropyl)spiro[2,5-dihydro-1H-2-benzazepine-4,2'-pyrrolidine]-3-one

C18H26N2O — CID 118740533

IUPAC1'-(2,2-dimethylpropyl)spiro[2,5-dihydro-1H-2-benzazepine-4,2'-pyrrolidine]-3-one
SMILESCC(C)(C)CN1CCCC12Cc1ccccc1CNC2=O
InChIInChI=1S/C18H26N2O/c1-17(2,3)13-20-10-6-9-18(20)11-14-7-4-5-8-15(14)12-19-16(18)21/h4-5,7-8H,6,9-13H2,1-3H3,(H,19,21)
InChIKeyZPSPJTQBAZWHAC-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.74
Rot. Bonds1

About 1'-(2,2-dimethylpropyl)spiro[2,5-dihydro-1H-2-benzazepine-4,2'-pyrrolidine]-3-one

1'-(2,2-dimethylpropyl)spiro[2,5-dihydro-1H-2-benzazepine-4,2'-pyrrolidine]-3-one (PubChem CID 118740533) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 1'-(2,2-dimethylpropyl)spiro[2,5-dihydro-1H-2-benzazepine-4,2'-pyrrolidine]-3-one.

Molecular Properties

Compound Name1'-(2,2-dimethylpropyl)spiro[2,5-dihydro-1H-2-benzazepine-4,2'-pyrrolidine]-3-one
PubChem CID118740533
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name1'-(2,2-dimethylpropyl)spiro[2,5-dihydro-1H-2-benzazepine-4,2'-pyrrolidine]-3-one
SMILESCC(C)(C)CN1CCCC12Cc1ccccc1CNC2=O
InChIInChI=1S/C18H26N2O/c1-17(2,3)13-20-10-6-9-18(20)11-14-7-4-5-8-15(14)12-19-16(18)21/h4-5,7-8H,6,9-13H2,1-3H3,(H,19,21)
InChIKeyZPSPJTQBAZWHAC-UHFFFAOYSA-N
XLogP2.74
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1'-(2,2-dimethylpropyl)spiro[2,5-dihydro-1H-2-benzazepine-4,2'-pyrrolidine]-3-one?
The IUPAC name of 1'-(2,2-dimethylpropyl)spiro[2,5-dihydro-1H-2-benzazepine-4,2'-pyrrolidine]-3-one (CID 118740533) is 1'-(2,2-dimethylpropyl)spiro[2,5-dihydro-1H-2-benzazepine-4,2'-pyrrolidine]-3-one.
What is the SMILES notation for 1'-(2,2-dimethylpropyl)spiro[2,5-dihydro-1H-2-benzazepine-4,2'-pyrrolidine]-3-one?
The canonical SMILES for 1'-(2,2-dimethylpropyl)spiro[2,5-dihydro-1H-2-benzazepine-4,2'-pyrrolidine]-3-one is CC(C)(C)CN1CCCC12Cc1ccccc1CNC2=O.
What is the InChIKey of 1'-(2,2-dimethylpropyl)spiro[2,5-dihydro-1H-2-benzazepine-4,2'-pyrrolidine]-3-one?
The InChIKey is ZPSPJTQBAZWHAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-17(2,3)13-20-10-6-9-18(20)11-14-7-4-5-8-15(14)12-19-16(18)21/h4-5,7-8H,6,9-13H2,1-3H3,(H,19,21).
What are the key properties of 1'-(2,2-dimethylpropyl)spiro[2,5-dihydro-1H-2-benzazepine-4,2'-pyrrolidine]-3-one?
1'-(2,2-dimethylpropyl)spiro[2,5-dihydro-1H-2-benzazepine-4,2'-pyrrolidine]-3-one has a molecular weight of 286.42 g/mol, XLogP of 2.74, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(2,2-dimethylpropyl)spiro[2,5-dihydro-1H-2-benzazepine-4,2'-pyrrolidine]-3-one is sourced from PubChem (CID 118740533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).