1-(9-ethylspiro[3,5-dihydro-2H-1-benzazepine-4,3'-pyrrolidine]-1-yl)ethanone

C17H24N2O — CID 82625906

IUPAC1-(9-ethylspiro[3,5-dihydro-2H-1-benzazepine-4,3'-pyrrolidine]-1-yl)ethanone
SMILESCCc1cccc2c1N(C(C)=O)CCC1(CCNC1)C2
InChIInChI=1S/C17H24N2O/c1-3-14-5-4-6-15-11-17(7-9-18-12-17)8-10-19(13(2)20)16(14)15/h4-6,18H,3,7-12H2,1-2H3
InChIKeyTXODYTGNWHOGBB-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.53
Rot. Bonds1

About 1-(9-ethylspiro[3,5-dihydro-2H-1-benzazepine-4,3'-pyrrolidine]-1-yl)ethanone

1-(9-ethylspiro[3,5-dihydro-2H-1-benzazepine-4,3'-pyrrolidine]-1-yl)ethanone (PubChem CID 82625906) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 1-(9-ethylspiro[3,5-dihydro-2H-1-benzazepine-4,3'-pyrrolidine]-1-yl)ethanone.

Molecular Properties

Compound Name1-(9-ethylspiro[3,5-dihydro-2H-1-benzazepine-4,3'-pyrrolidine]-1-yl)ethanone
PubChem CID82625906
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name1-(9-ethylspiro[3,5-dihydro-2H-1-benzazepine-4,3'-pyrrolidine]-1-yl)ethanone
SMILESCCc1cccc2c1N(C(C)=O)CCC1(CCNC1)C2
InChIInChI=1S/C17H24N2O/c1-3-14-5-4-6-15-11-17(7-9-18-12-17)8-10-19(13(2)20)16(14)15/h4-6,18H,3,7-12H2,1-2H3
InChIKeyTXODYTGNWHOGBB-UHFFFAOYSA-N
XLogP2.53
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(9-ethylspiro[3,5-dihydro-2H-1-benzazepine-4,3'-pyrrolidine]-1-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(9-ethylspiro[3,5-dihydro-2H-1-benzazepine-4,3'-pyrrolidine]-1-yl)ethanone?
The IUPAC name of 1-(9-ethylspiro[3,5-dihydro-2H-1-benzazepine-4,3'-pyrrolidine]-1-yl)ethanone (CID 82625906) is 1-(9-ethylspiro[3,5-dihydro-2H-1-benzazepine-4,3'-pyrrolidine]-1-yl)ethanone.
What is the SMILES notation for 1-(9-ethylspiro[3,5-dihydro-2H-1-benzazepine-4,3'-pyrrolidine]-1-yl)ethanone?
The canonical SMILES for 1-(9-ethylspiro[3,5-dihydro-2H-1-benzazepine-4,3'-pyrrolidine]-1-yl)ethanone is CCc1cccc2c1N(C(C)=O)CCC1(CCNC1)C2.
What is the InChIKey of 1-(9-ethylspiro[3,5-dihydro-2H-1-benzazepine-4,3'-pyrrolidine]-1-yl)ethanone?
The InChIKey is TXODYTGNWHOGBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-3-14-5-4-6-15-11-17(7-9-18-12-17)8-10-19(13(2)20)16(14)15/h4-6,18H,3,7-12H2,1-2H3.
What are the key properties of 1-(9-ethylspiro[3,5-dihydro-2H-1-benzazepine-4,3'-pyrrolidine]-1-yl)ethanone?
1-(9-ethylspiro[3,5-dihydro-2H-1-benzazepine-4,3'-pyrrolidine]-1-yl)ethanone has a molecular weight of 272.39 g/mol, XLogP of 2.53, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9-ethylspiro[3,5-dihydro-2H-1-benzazepine-4,3'-pyrrolidine]-1-yl)ethanone is sourced from PubChem (CID 82625906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).