1-[2-(8-methoxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethyl]pyrrolidin-2-one

C17H24N2O2 — CID 71855025

IUPAC1-[2-(8-methoxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethyl]pyrrolidin-2-one
SMILESCOc1ccc2c(c1)N(CCN1CCCC1=O)CCCC2
InChIInChI=1S/C17H24N2O2/c1-21-15-8-7-14-5-2-3-9-18(16(14)13-15)11-12-19-10-4-6-17(19)20/h7-8,13H,2-6,9-12H2,1H3
InChIKeyGCOFPDSNVGRMLL-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.46
Rot. Bonds4

About 1-[2-(8-methoxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethyl]pyrrolidin-2-one

1-[2-(8-methoxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethyl]pyrrolidin-2-one (PubChem CID 71855025) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-[2-(8-methoxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-(8-methoxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethyl]pyrrolidin-2-one
PubChem CID71855025
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name1-[2-(8-methoxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethyl]pyrrolidin-2-one
SMILESCOc1ccc2c(c1)N(CCN1CCCC1=O)CCCC2
InChIInChI=1S/C17H24N2O2/c1-21-15-8-7-14-5-2-3-9-18(16(14)13-15)11-12-19-10-4-6-17(19)20/h7-8,13H,2-6,9-12H2,1H3
InChIKeyGCOFPDSNVGRMLL-UHFFFAOYSA-N
XLogP2.46
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(8-methoxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-(8-methoxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethyl]pyrrolidin-2-one (CID 71855025) is 1-[2-(8-methoxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-(8-methoxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-(8-methoxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethyl]pyrrolidin-2-one is COc1ccc2c(c1)N(CCN1CCCC1=O)CCCC2.
What is the InChIKey of 1-[2-(8-methoxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethyl]pyrrolidin-2-one?
The InChIKey is GCOFPDSNVGRMLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-21-15-8-7-14-5-2-3-9-18(16(14)13-15)11-12-19-10-4-6-17(19)20/h7-8,13H,2-6,9-12H2,1H3.
What are the key properties of 1-[2-(8-methoxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethyl]pyrrolidin-2-one?
1-[2-(8-methoxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethyl]pyrrolidin-2-one has a molecular weight of 288.39 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(8-methoxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethyl]pyrrolidin-2-one is sourced from PubChem (CID 71855025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).