2-methyl-1-(1'-propylspiro[3,5-dihydro-1H-2-benzazepine-4,3'-pyrrolidine]-2-yl)propan-1-one

C20H30N2O — CID 134789578

IUPAC2-methyl-1-(1'-propylspiro[3,5-dihydro-1H-2-benzazepine-4,3'-pyrrolidine]-2-yl)propan-1-one
SMILESCCCN1CCC2(Cc3ccccc3CN(C(=O)C(C)C)C2)C1
InChIInChI=1S/C20H30N2O/c1-4-10-21-11-9-20(14-21)12-17-7-5-6-8-18(17)13-22(15-20)19(23)16(2)3/h5-8,16H,4,9-15H2,1-3H3
InChIKeyXLGLSHGQXCVQSR-UHFFFAOYSA-N
MW314.47 g/mol
LogP3.33
Rot. Bonds3

About 2-methyl-1-(1'-propylspiro[3,5-dihydro-1H-2-benzazepine-4,3'-pyrrolidine]-2-yl)propan-1-one

2-methyl-1-(1'-propylspiro[3,5-dihydro-1H-2-benzazepine-4,3'-pyrrolidine]-2-yl)propan-1-one (PubChem CID 134789578) has the molecular formula C20H30N2O and a molecular weight of 314.47 g/mol. Its IUPAC name is 2-methyl-1-(1'-propylspiro[3,5-dihydro-1H-2-benzazepine-4,3'-pyrrolidine]-2-yl)propan-1-one.

Molecular Properties

Compound Name2-methyl-1-(1'-propylspiro[3,5-dihydro-1H-2-benzazepine-4,3'-pyrrolidine]-2-yl)propan-1-one
PubChem CID134789578
Molecular FormulaC20H30N2O
Molecular Weight314.47 g/mol
Exact Mass314.24
IUPAC Name2-methyl-1-(1'-propylspiro[3,5-dihydro-1H-2-benzazepine-4,3'-pyrrolidine]-2-yl)propan-1-one
SMILESCCCN1CCC2(Cc3ccccc3CN(C(=O)C(C)C)C2)C1
InChIInChI=1S/C20H30N2O/c1-4-10-21-11-9-20(14-21)12-17-7-5-6-8-18(17)13-22(15-20)19(23)16(2)3/h5-8,16H,4,9-15H2,1-3H3
InChIKeyXLGLSHGQXCVQSR-UHFFFAOYSA-N
XLogP3.33
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

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Related Compounds

N-(2-Cyclopropyl-benzyl)-N-(S)-pyrrolidin-3-yl-isobutyramide
CID 11687843
2,2-Dimethyl-1-(2-phenylpyrrolidin-1-yl)propan-1-one
CID 60723604
1-[8-(Dimethylamino)-8-phenyl-3-azaspiro[4.5]decan-3-yl]-butan-1-one
CID 118662309
1-(1,5,5-Trimethylspiro[1,4-dihydro-2-benzazepine-3,1'-cyclohexane]-2-yl)ethanone
CID 2942724
4-[(2-methylphenyl)methyl]-1-[(E)-3-phenylprop-2-enyl]-1,4-diazepan-5-one
CID 44169938
N-(2-Isopropyl-benzyl)-N-(S)-pyrrolidin-3-yl-isobutyramide
CID 44578263
4-[(2-Methylphenyl)methyl]-1-(3-phenylprop-2-enyl)-1,4-diazepan-5-one
CID 52944173
US11203600, Example 5
CID 142476076
2-acetyl-5-methylspiro[1H,4H,5H-benzo[e]azepine-3,1'-cyclohexane]
CID 2729789
Cambridge id 5658188
CID 3147168
N-benzyl-N-(4-pyrrolidin-1-ylbut-2-ynyl)acetamide
CID 15014570
2-methyl-1-(1'-methylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-pyrrolidine]-2-yl)propan-1-one
CID 118740541

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(1'-propylspiro[3,5-dihydro-1H-2-benzazepine-4,3'-pyrrolidine]-2-yl)propan-1-one?
The IUPAC name of 2-methyl-1-(1'-propylspiro[3,5-dihydro-1H-2-benzazepine-4,3'-pyrrolidine]-2-yl)propan-1-one (CID 134789578) is 2-methyl-1-(1'-propylspiro[3,5-dihydro-1H-2-benzazepine-4,3'-pyrrolidine]-2-yl)propan-1-one.
What is the SMILES notation for 2-methyl-1-(1'-propylspiro[3,5-dihydro-1H-2-benzazepine-4,3'-pyrrolidine]-2-yl)propan-1-one?
The canonical SMILES for 2-methyl-1-(1'-propylspiro[3,5-dihydro-1H-2-benzazepine-4,3'-pyrrolidine]-2-yl)propan-1-one is CCCN1CCC2(Cc3ccccc3CN(C(=O)C(C)C)C2)C1.
What is the InChIKey of 2-methyl-1-(1'-propylspiro[3,5-dihydro-1H-2-benzazepine-4,3'-pyrrolidine]-2-yl)propan-1-one?
The InChIKey is XLGLSHGQXCVQSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O/c1-4-10-21-11-9-20(14-21)12-17-7-5-6-8-18(17)13-22(15-20)19(23)16(2)3/h5-8,16H,4,9-15H2,1-3H3.
What are the key properties of 2-methyl-1-(1'-propylspiro[3,5-dihydro-1H-2-benzazepine-4,3'-pyrrolidine]-2-yl)propan-1-one?
2-methyl-1-(1'-propylspiro[3,5-dihydro-1H-2-benzazepine-4,3'-pyrrolidine]-2-yl)propan-1-one has a molecular weight of 314.47 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(1'-propylspiro[3,5-dihydro-1H-2-benzazepine-4,3'-pyrrolidine]-2-yl)propan-1-one is sourced from PubChem (CID 134789578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).