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

C9H10N2O2 — CID 10487546

IUPAC1-methyl-6,7-dihydro-5H-pyrrolo[2,3-c]azepine-4,8-dione
SMILESCn1ccc2c1C(=O)NCCC2=O
InChIInChI=1S/C9H10N2O2/c1-11-5-3-6-7(12)2-4-10-9(13)8(6)11/h3,5H,2,4H2,1H3,(H,10,13)
InChIKeyQCNQUCLPAAQEIX-UHFFFAOYSA-N
MW178.19 g/mol
LogP0.34
Rot. Bonds

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

1-methyl-6,7-dihydro-5H-pyrrolo[2,3-c]azepine-4,8-dione (PubChem CID 10487546) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is 1-methyl-6,7-dihydro-5H-pyrrolo[2,3-c]azepine-4,8-dione.

Molecular Properties

Compound Name1-methyl-6,7-dihydro-5H-pyrrolo[2,3-c]azepine-4,8-dione
PubChem CID10487546
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Name1-methyl-6,7-dihydro-5H-pyrrolo[2,3-c]azepine-4,8-dione
SMILESCn1ccc2c1C(=O)NCCC2=O
InChIInChI=1S/C9H10N2O2/c1-11-5-3-6-7(12)2-4-10-9(13)8(6)11/h3,5H,2,4H2,1H3,(H,10,13)
InChIKeyQCNQUCLPAAQEIX-UHFFFAOYSA-N
XLogP0.34
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6,7-dihydro-5H-pyrrolo[2,3-c]azepine-4,8-dione?
The IUPAC name of 1-methyl-6,7-dihydro-5H-pyrrolo[2,3-c]azepine-4,8-dione (CID 10487546) is 1-methyl-6,7-dihydro-5H-pyrrolo[2,3-c]azepine-4,8-dione.
What is the SMILES notation for 1-methyl-6,7-dihydro-5H-pyrrolo[2,3-c]azepine-4,8-dione?
The canonical SMILES for 1-methyl-6,7-dihydro-5H-pyrrolo[2,3-c]azepine-4,8-dione is Cn1ccc2c1C(=O)NCCC2=O.
What is the InChIKey of 1-methyl-6,7-dihydro-5H-pyrrolo[2,3-c]azepine-4,8-dione?
The InChIKey is QCNQUCLPAAQEIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2/c1-11-5-3-6-7(12)2-4-10-9(13)8(6)11/h3,5H,2,4H2,1H3,(H,10,13).
What are the key properties of 1-methyl-6,7-dihydro-5H-pyrrolo[2,3-c]azepine-4,8-dione?
1-methyl-6,7-dihydro-5H-pyrrolo[2,3-c]azepine-4,8-dione has a molecular weight of 178.19 g/mol, XLogP of 0.34, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6,7-dihydro-5H-pyrrolo[2,3-c]azepine-4,8-dione is sourced from PubChem (CID 10487546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).