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

C18H26N2O — CID 118740541

IUPAC2-methyl-1-(1'-methylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-pyrrolidine]-2-yl)propan-1-one
SMILESCC(C)C(=O)N1Cc2ccccc2CC2(CCCN2C)C1
InChIInChI=1S/C18H26N2O/c1-14(2)17(21)20-12-16-8-5-4-7-15(16)11-18(13-20)9-6-10-19(18)3/h4-5,7-8,14H,6,9-13H2,1-3H3
InChIKeyAWRDMMBKLQAZBE-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.69
Rot. Bonds1

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

2-methyl-1-(1'-methylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-pyrrolidine]-2-yl)propan-1-one (PubChem CID 118740541) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 2-methyl-1-(1'-methylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-pyrrolidine]-2-yl)propan-1-one.

Molecular Properties

Compound Name2-methyl-1-(1'-methylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-pyrrolidine]-2-yl)propan-1-one
PubChem CID118740541
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name2-methyl-1-(1'-methylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-pyrrolidine]-2-yl)propan-1-one
SMILESCC(C)C(=O)N1Cc2ccccc2CC2(CCCN2C)C1
InChIInChI=1S/C18H26N2O/c1-14(2)17(21)20-12-16-8-5-4-7-15(16)11-18(13-20)9-6-10-19(18)3/h4-5,7-8,14H,6,9-13H2,1-3H3
InChIKeyAWRDMMBKLQAZBE-UHFFFAOYSA-N
XLogP2.69
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(1'-methylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-pyrrolidine]-2-yl)propan-1-one?
The IUPAC name of 2-methyl-1-(1'-methylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-pyrrolidine]-2-yl)propan-1-one (CID 118740541) is 2-methyl-1-(1'-methylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-pyrrolidine]-2-yl)propan-1-one.
What is the SMILES notation for 2-methyl-1-(1'-methylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-pyrrolidine]-2-yl)propan-1-one?
The canonical SMILES for 2-methyl-1-(1'-methylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-pyrrolidine]-2-yl)propan-1-one is CC(C)C(=O)N1Cc2ccccc2CC2(CCCN2C)C1.
What is the InChIKey of 2-methyl-1-(1'-methylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-pyrrolidine]-2-yl)propan-1-one?
The InChIKey is AWRDMMBKLQAZBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-14(2)17(21)20-12-16-8-5-4-7-15(16)11-18(13-20)9-6-10-19(18)3/h4-5,7-8,14H,6,9-13H2,1-3H3.
What are the key properties of 2-methyl-1-(1'-methylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-pyrrolidine]-2-yl)propan-1-one?
2-methyl-1-(1'-methylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-pyrrolidine]-2-yl)propan-1-one has a molecular weight of 286.42 g/mol, XLogP of 2.69, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(1'-methylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-pyrrolidine]-2-yl)propan-1-one is sourced from PubChem (CID 118740541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).