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

C9H10N2O2 — CID 68639083

IUPAC6-methyl-1,5,6,7-tetrahydropyrrolo[2,3-c]azepine-4,8-dione
SMILESCC1CC(=O)c2cc[nH]c2C(=O)N1
InChIInChI=1S/C9H10N2O2/c1-5-4-7(12)6-2-3-10-8(6)9(13)11-5/h2-3,5,10H,4H2,1H3,(H,11,13)
InChIKeyUGWNRINKBOVFSJ-UHFFFAOYSA-N
MW178.19 g/mol
LogP0.72
Rot. Bonds

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

6-methyl-1,5,6,7-tetrahydropyrrolo[2,3-c]azepine-4,8-dione (PubChem CID 68639083) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is 6-methyl-1,5,6,7-tetrahydropyrrolo[2,3-c]azepine-4,8-dione.

Molecular Properties

Compound Name6-methyl-1,5,6,7-tetrahydropyrrolo[2,3-c]azepine-4,8-dione
PubChem CID68639083
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Name6-methyl-1,5,6,7-tetrahydropyrrolo[2,3-c]azepine-4,8-dione
SMILESCC1CC(=O)c2cc[nH]c2C(=O)N1
InChIInChI=1S/C9H10N2O2/c1-5-4-7(12)6-2-3-10-8(6)9(13)11-5/h2-3,5,10H,4H2,1H3,(H,11,13)
InChIKeyUGWNRINKBOVFSJ-UHFFFAOYSA-N
XLogP0.72
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 152300
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CID 3085877
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CID 11064594
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CID 11019886
CID 11019886
CID 11085165
CID 11085165
CID 16110286
CID 16110286
CID 1489245
CID 1489245
CID 1489220
CID 1489220
CID 1489239
CID 1489239
CID 10634145
CID 10634145
CID 135451582
CID 135451582

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1,5,6,7-tetrahydropyrrolo[2,3-c]azepine-4,8-dione?
The IUPAC name of 6-methyl-1,5,6,7-tetrahydropyrrolo[2,3-c]azepine-4,8-dione (CID 68639083) is 6-methyl-1,5,6,7-tetrahydropyrrolo[2,3-c]azepine-4,8-dione.
What is the SMILES notation for 6-methyl-1,5,6,7-tetrahydropyrrolo[2,3-c]azepine-4,8-dione?
The canonical SMILES for 6-methyl-1,5,6,7-tetrahydropyrrolo[2,3-c]azepine-4,8-dione is CC1CC(=O)c2cc[nH]c2C(=O)N1.
What is the InChIKey of 6-methyl-1,5,6,7-tetrahydropyrrolo[2,3-c]azepine-4,8-dione?
The InChIKey is UGWNRINKBOVFSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2/c1-5-4-7(12)6-2-3-10-8(6)9(13)11-5/h2-3,5,10H,4H2,1H3,(H,11,13).
What are the key properties of 6-methyl-1,5,6,7-tetrahydropyrrolo[2,3-c]azepine-4,8-dione?
6-methyl-1,5,6,7-tetrahydropyrrolo[2,3-c]azepine-4,8-dione has a molecular weight of 178.19 g/mol, XLogP of 0.72, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1,5,6,7-tetrahydropyrrolo[2,3-c]azepine-4,8-dione is sourced from PubChem (CID 68639083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).