7-propyl-1,5,6,7-tetrahydropyrrolo[3,2-c]azepine-4,8-dione

C11H14N2O2 — CID 67943123

IUPAC7-propyl-1,5,6,7-tetrahydropyrrolo[3,2-c]azepine-4,8-dione
SMILESCCCC1CNC(=O)c2cc[nH]c2C1=O
InChIInChI=1S/C11H14N2O2/c1-2-3-7-6-13-11(15)8-4-5-12-9(8)10(7)14/h4-5,7,12H,2-3,6H2,1H3,(H,13,15)
InChIKeyZFDZJFKJHIMQMZ-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.36
Rot. Bonds2

About 7-propyl-1,5,6,7-tetrahydropyrrolo[3,2-c]azepine-4,8-dione

7-propyl-1,5,6,7-tetrahydropyrrolo[3,2-c]azepine-4,8-dione (PubChem CID 67943123) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is 7-propyl-1,5,6,7-tetrahydropyrrolo[3,2-c]azepine-4,8-dione.

Molecular Properties

Compound Name7-propyl-1,5,6,7-tetrahydropyrrolo[3,2-c]azepine-4,8-dione
PubChem CID67943123
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC Name7-propyl-1,5,6,7-tetrahydropyrrolo[3,2-c]azepine-4,8-dione
SMILESCCCC1CNC(=O)c2cc[nH]c2C1=O
InChIInChI=1S/C11H14N2O2/c1-2-3-7-6-13-11(15)8-4-5-12-9(8)10(7)14/h4-5,7,12H,2-3,6H2,1H3,(H,13,15)
InChIKeyZFDZJFKJHIMQMZ-UHFFFAOYSA-N
XLogP1.36
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-propyl-1,5,6,7-tetrahydropyrrolo[3,2-c]azepine-4,8-dione?
The IUPAC name of 7-propyl-1,5,6,7-tetrahydropyrrolo[3,2-c]azepine-4,8-dione (CID 67943123) is 7-propyl-1,5,6,7-tetrahydropyrrolo[3,2-c]azepine-4,8-dione.
What is the SMILES notation for 7-propyl-1,5,6,7-tetrahydropyrrolo[3,2-c]azepine-4,8-dione?
The canonical SMILES for 7-propyl-1,5,6,7-tetrahydropyrrolo[3,2-c]azepine-4,8-dione is CCCC1CNC(=O)c2cc[nH]c2C1=O.
What is the InChIKey of 7-propyl-1,5,6,7-tetrahydropyrrolo[3,2-c]azepine-4,8-dione?
The InChIKey is ZFDZJFKJHIMQMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-2-3-7-6-13-11(15)8-4-5-12-9(8)10(7)14/h4-5,7,12H,2-3,6H2,1H3,(H,13,15).
What are the key properties of 7-propyl-1,5,6,7-tetrahydropyrrolo[3,2-c]azepine-4,8-dione?
7-propyl-1,5,6,7-tetrahydropyrrolo[3,2-c]azepine-4,8-dione has a molecular weight of 206.24 g/mol, XLogP of 1.36, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-propyl-1,5,6,7-tetrahydropyrrolo[3,2-c]azepine-4,8-dione is sourced from PubChem (CID 67943123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).