7-benzyl-5,6-dihydro-1H-pyrrolo[2,3-c]azepine-4,8-dione

C15H14N2O2 — CID 10538869

IUPAC7-benzyl-5,6-dihydro-1H-pyrrolo[2,3-c]azepine-4,8-dione
SMILESO=C1CCN(Cc2ccccc2)C(=O)c2[nH]ccc21
InChIInChI=1S/C15H14N2O2/c18-13-7-9-17(10-11-4-2-1-3-5-11)15(19)14-12(13)6-8-16-14/h1-6,8,16H,7,9-10H2
InChIKeyJSFSFJJWASNZPR-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.24
Rot. Bonds2

About 7-benzyl-5,6-dihydro-1H-pyrrolo[2,3-c]azepine-4,8-dione

7-benzyl-5,6-dihydro-1H-pyrrolo[2,3-c]azepine-4,8-dione (PubChem CID 10538869) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 7-benzyl-5,6-dihydro-1H-pyrrolo[2,3-c]azepine-4,8-dione.

Molecular Properties

Compound Name7-benzyl-5,6-dihydro-1H-pyrrolo[2,3-c]azepine-4,8-dione
PubChem CID10538869
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name7-benzyl-5,6-dihydro-1H-pyrrolo[2,3-c]azepine-4,8-dione
SMILESO=C1CCN(Cc2ccccc2)C(=O)c2[nH]ccc21
InChIInChI=1S/C15H14N2O2/c18-13-7-9-17(10-11-4-2-1-3-5-11)15(19)14-12(13)6-8-16-14/h1-6,8,16H,7,9-10H2
InChIKeyJSFSFJJWASNZPR-UHFFFAOYSA-N
XLogP2.24
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-benzyl-5,6-dihydro-1H-pyrrolo[2,3-c]azepine-4,8-dione?
The IUPAC name of 7-benzyl-5,6-dihydro-1H-pyrrolo[2,3-c]azepine-4,8-dione (CID 10538869) is 7-benzyl-5,6-dihydro-1H-pyrrolo[2,3-c]azepine-4,8-dione.
What is the SMILES notation for 7-benzyl-5,6-dihydro-1H-pyrrolo[2,3-c]azepine-4,8-dione?
The canonical SMILES for 7-benzyl-5,6-dihydro-1H-pyrrolo[2,3-c]azepine-4,8-dione is O=C1CCN(Cc2ccccc2)C(=O)c2[nH]ccc21.
What is the InChIKey of 7-benzyl-5,6-dihydro-1H-pyrrolo[2,3-c]azepine-4,8-dione?
The InChIKey is JSFSFJJWASNZPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c18-13-7-9-17(10-11-4-2-1-3-5-11)15(19)14-12(13)6-8-16-14/h1-6,8,16H,7,9-10H2.
What are the key properties of 7-benzyl-5,6-dihydro-1H-pyrrolo[2,3-c]azepine-4,8-dione?
7-benzyl-5,6-dihydro-1H-pyrrolo[2,3-c]azepine-4,8-dione has a molecular weight of 254.29 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzyl-5,6-dihydro-1H-pyrrolo[2,3-c]azepine-4,8-dione is sourced from PubChem (CID 10538869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).