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

C9H10N2O2 — CID 22011266

IUPAC5-methyl-6,7-dihydro-2H-pyrrolo[3,4-c]azepine-4,8-dione
SMILESCN1CCC(=O)c2c[nH]cc2C1=O
InChIInChI=1S/C9H10N2O2/c1-11-3-2-8(12)6-4-10-5-7(6)9(11)13/h4-5,10H,2-3H2,1H3
InChIKeyHZVRAPZCIHIAPD-UHFFFAOYSA-N
MW178.19 g/mol
LogP0.67
Rot. Bonds

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

5-methyl-6,7-dihydro-2H-pyrrolo[3,4-c]azepine-4,8-dione (PubChem CID 22011266) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is 5-methyl-6,7-dihydro-2H-pyrrolo[3,4-c]azepine-4,8-dione.

Molecular Properties

Compound Name5-methyl-6,7-dihydro-2H-pyrrolo[3,4-c]azepine-4,8-dione
PubChem CID22011266
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Name5-methyl-6,7-dihydro-2H-pyrrolo[3,4-c]azepine-4,8-dione
SMILESCN1CCC(=O)c2c[nH]cc2C1=O
InChIInChI=1S/C9H10N2O2/c1-11-3-2-8(12)6-4-10-5-7(6)9(11)13/h4-5,10H,2-3H2,1H3
InChIKeyHZVRAPZCIHIAPD-UHFFFAOYSA-N
XLogP0.67
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-6,7-dihydro-2H-pyrrolo[3,4-c]azepine-4,8-dione?
The IUPAC name of 5-methyl-6,7-dihydro-2H-pyrrolo[3,4-c]azepine-4,8-dione (CID 22011266) is 5-methyl-6,7-dihydro-2H-pyrrolo[3,4-c]azepine-4,8-dione.
What is the SMILES notation for 5-methyl-6,7-dihydro-2H-pyrrolo[3,4-c]azepine-4,8-dione?
The canonical SMILES for 5-methyl-6,7-dihydro-2H-pyrrolo[3,4-c]azepine-4,8-dione is CN1CCC(=O)c2c[nH]cc2C1=O.
What is the InChIKey of 5-methyl-6,7-dihydro-2H-pyrrolo[3,4-c]azepine-4,8-dione?
The InChIKey is HZVRAPZCIHIAPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2/c1-11-3-2-8(12)6-4-10-5-7(6)9(11)13/h4-5,10H,2-3H2,1H3.
What are the key properties of 5-methyl-6,7-dihydro-2H-pyrrolo[3,4-c]azepine-4,8-dione?
5-methyl-6,7-dihydro-2H-pyrrolo[3,4-c]azepine-4,8-dione has a molecular weight of 178.19 g/mol, XLogP of 0.67, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6,7-dihydro-2H-pyrrolo[3,4-c]azepine-4,8-dione is sourced from PubChem (CID 22011266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).