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

C10H12N2O2 — CID 10631589

IUPAC1-ethyl-6,7-dihydro-5H-pyrrolo[3,2-c]azepine-4,8-dione
SMILESCCn1ccc2c1C(=O)CCNC2=O
InChIInChI=1S/C10H12N2O2/c1-2-12-6-4-7-9(12)8(13)3-5-11-10(7)14/h4,6H,2-3,5H2,1H3,(H,11,14)
InChIKeyZHMOJKJJZPCIBC-UHFFFAOYSA-N
MW192.22 g/mol
LogP0.82
Rot. Bonds1

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

1-ethyl-6,7-dihydro-5H-pyrrolo[3,2-c]azepine-4,8-dione (PubChem CID 10631589) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 1-ethyl-6,7-dihydro-5H-pyrrolo[3,2-c]azepine-4,8-dione.

Molecular Properties

Compound Name1-ethyl-6,7-dihydro-5H-pyrrolo[3,2-c]azepine-4,8-dione
PubChem CID10631589
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name1-ethyl-6,7-dihydro-5H-pyrrolo[3,2-c]azepine-4,8-dione
SMILESCCn1ccc2c1C(=O)CCNC2=O
InChIInChI=1S/C10H12N2O2/c1-2-12-6-4-7-9(12)8(13)3-5-11-10(7)14/h4,6H,2-3,5H2,1H3,(H,11,14)
InChIKeyZHMOJKJJZPCIBC-UHFFFAOYSA-N
XLogP0.82
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6,7-dihydro-5H-pyrrolo[3,2-c]azepine-4,8-dione?
The IUPAC name of 1-ethyl-6,7-dihydro-5H-pyrrolo[3,2-c]azepine-4,8-dione (CID 10631589) is 1-ethyl-6,7-dihydro-5H-pyrrolo[3,2-c]azepine-4,8-dione.
What is the SMILES notation for 1-ethyl-6,7-dihydro-5H-pyrrolo[3,2-c]azepine-4,8-dione?
The canonical SMILES for 1-ethyl-6,7-dihydro-5H-pyrrolo[3,2-c]azepine-4,8-dione is CCn1ccc2c1C(=O)CCNC2=O.
What is the InChIKey of 1-ethyl-6,7-dihydro-5H-pyrrolo[3,2-c]azepine-4,8-dione?
The InChIKey is ZHMOJKJJZPCIBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c1-2-12-6-4-7-9(12)8(13)3-5-11-10(7)14/h4,6H,2-3,5H2,1H3,(H,11,14).
What are the key properties of 1-ethyl-6,7-dihydro-5H-pyrrolo[3,2-c]azepine-4,8-dione?
1-ethyl-6,7-dihydro-5H-pyrrolo[3,2-c]azepine-4,8-dione has a molecular weight of 192.22 g/mol, XLogP of 0.82, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6,7-dihydro-5H-pyrrolo[3,2-c]azepine-4,8-dione is sourced from PubChem (CID 10631589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).