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

C21H24N2O2 — CID 134790713

IUPAC1'-[(2-methoxyphenyl)methyl]spiro[2,5-dihydro-1H-2-benzazepine-4,2'-pyrrolidine]-3-one
SMILESCOc1ccccc1CN1CCCC12Cc1ccccc1CNC2=O
InChIInChI=1S/C21H24N2O2/c1-25-19-10-5-4-9-18(19)15-23-12-6-11-21(23)13-16-7-2-3-8-17(16)14-22-20(21)24/h2-5,7-10H,6,11-15H2,1H3,(H,22,24)
InChIKeyRBYXKRXXFMHSFX-UHFFFAOYSA-N
MW336.44 g/mol
LogP2.90
Rot. Bonds3

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

1'-[(2-methoxyphenyl)methyl]spiro[2,5-dihydro-1H-2-benzazepine-4,2'-pyrrolidine]-3-one (PubChem CID 134790713) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 1'-[(2-methoxyphenyl)methyl]spiro[2,5-dihydro-1H-2-benzazepine-4,2'-pyrrolidine]-3-one.

Molecular Properties

Compound Name1'-[(2-methoxyphenyl)methyl]spiro[2,5-dihydro-1H-2-benzazepine-4,2'-pyrrolidine]-3-one
PubChem CID134790713
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name1'-[(2-methoxyphenyl)methyl]spiro[2,5-dihydro-1H-2-benzazepine-4,2'-pyrrolidine]-3-one
SMILESCOc1ccccc1CN1CCCC12Cc1ccccc1CNC2=O
InChIInChI=1S/C21H24N2O2/c1-25-19-10-5-4-9-18(19)15-23-12-6-11-21(23)13-16-7-2-3-8-17(16)14-22-20(21)24/h2-5,7-10H,6,11-15H2,1H3,(H,22,24)
InChIKeyRBYXKRXXFMHSFX-UHFFFAOYSA-N
XLogP2.90
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1'-[(2-methoxyphenyl)methyl]spiro[2,5-dihydro-1H-2-benzazepine-4,2'-pyrrolidine]-3-one with MolForge

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

Launch Full Analysis

Related Compounds

1'-(cyclopentylmethyl)spiro[2,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-3-one
CID 134789246
1'-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methyl]spiro[2,5-dihydro-1H-2-benzazepine-4,2'-pyrrolidine]-3-one
CID 134790376
1'-[(3,4-dimethoxyphenyl)methyl]spiro[2,5-dihydro-1H-2-benzazepine-4,3'-piperidine]-3-one
CID 155901788
7-[(2-methoxyphenyl)methyl]-5,7-diazaspiro[2.5]octane-4,6,8-trione
CID 115946385
9-cyclopropyl-1-[(2-methoxynaphthalen-1-yl)methyl]-1,9-diazaspiro[4.5]decan-10-one
CID 163310473
(4R)-3'-[(2-methoxyphenyl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 40777756
1-[(3,4-dimethoxy-2-pyridinyl)methyl]-1,9-diazaspiro[4.5]decan-10-one
CID 162638924
2-[(2-methoxyphenyl)methyl]-2,9-diazaspiro[5.5]undecane
CID 3233910
1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[1,4-dihydroquinoline-3,2'-pyrrolidine]-2-one
CID 118740606
3'-[(2-methoxyphenyl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 166179070
1'-[[2-(trifluoromethyl)phenyl]methyl]spiro[1,4-dihydroquinoline-3,2'-azetidine]-2-one
CID 134791744
1'-(pyridin-4-ylmethyl)spiro[2,5-dihydro-1H-2-benzazepine-4,3'-piperidine]-3-one
CID 134789298

Frequently Asked Questions

What is the IUPAC name of 1'-[(2-methoxyphenyl)methyl]spiro[2,5-dihydro-1H-2-benzazepine-4,2'-pyrrolidine]-3-one?
The IUPAC name of 1'-[(2-methoxyphenyl)methyl]spiro[2,5-dihydro-1H-2-benzazepine-4,2'-pyrrolidine]-3-one (CID 134790713) is 1'-[(2-methoxyphenyl)methyl]spiro[2,5-dihydro-1H-2-benzazepine-4,2'-pyrrolidine]-3-one.
What is the SMILES notation for 1'-[(2-methoxyphenyl)methyl]spiro[2,5-dihydro-1H-2-benzazepine-4,2'-pyrrolidine]-3-one?
The canonical SMILES for 1'-[(2-methoxyphenyl)methyl]spiro[2,5-dihydro-1H-2-benzazepine-4,2'-pyrrolidine]-3-one is COc1ccccc1CN1CCCC12Cc1ccccc1CNC2=O.
What is the InChIKey of 1'-[(2-methoxyphenyl)methyl]spiro[2,5-dihydro-1H-2-benzazepine-4,2'-pyrrolidine]-3-one?
The InChIKey is RBYXKRXXFMHSFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-25-19-10-5-4-9-18(19)15-23-12-6-11-21(23)13-16-7-2-3-8-17(16)14-22-20(21)24/h2-5,7-10H,6,11-15H2,1H3,(H,22,24).
What are the key properties of 1'-[(2-methoxyphenyl)methyl]spiro[2,5-dihydro-1H-2-benzazepine-4,2'-pyrrolidine]-3-one?
1'-[(2-methoxyphenyl)methyl]spiro[2,5-dihydro-1H-2-benzazepine-4,2'-pyrrolidine]-3-one has a molecular weight of 336.44 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(2-methoxyphenyl)methyl]spiro[2,5-dihydro-1H-2-benzazepine-4,2'-pyrrolidine]-3-one is sourced from PubChem (CID 134790713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).