6,7,9-trimethyl-2,3-dihydro-1H-pyrrolo[1,2-a]azepine-5,8-dione

C12H15NO2 — CID 13253269

IUPAC6,7,9-trimethyl-2,3-dihydro-1H-pyrrolo[1,2-a]azepine-5,8-dione
SMILESCc1c(C)c(=O)n2c(c(C)c1=O)CCC2
InChIInChI=1S/C12H15NO2/c1-7-8(2)12(15)13-6-4-5-10(13)9(3)11(7)14/h4-6H2,1-3H3
InChIKeyQDZSGSDKDFTCTF-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.08
Rot. Bonds

About 6,7,9-trimethyl-2,3-dihydro-1H-pyrrolo[1,2-a]azepine-5,8-dione

6,7,9-trimethyl-2,3-dihydro-1H-pyrrolo[1,2-a]azepine-5,8-dione (PubChem CID 13253269) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 6,7,9-trimethyl-2,3-dihydro-1H-pyrrolo[1,2-a]azepine-5,8-dione.

Molecular Properties

Compound Name6,7,9-trimethyl-2,3-dihydro-1H-pyrrolo[1,2-a]azepine-5,8-dione
PubChem CID13253269
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name6,7,9-trimethyl-2,3-dihydro-1H-pyrrolo[1,2-a]azepine-5,8-dione
SMILESCc1c(C)c(=O)n2c(c(C)c1=O)CCC2
InChIInChI=1S/C12H15NO2/c1-7-8(2)12(15)13-6-4-5-10(13)9(3)11(7)14/h4-6H2,1-3H3
InChIKeyQDZSGSDKDFTCTF-UHFFFAOYSA-N
XLogP1.08
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-Acetylpyrrolidin-2-ylidene)butan-2-one
CID 123729373
1,3,4,6,7-Pentamethylazepine-2,5-dione
CID 121219922

Frequently Asked Questions

What is the IUPAC name of 6,7,9-trimethyl-2,3-dihydro-1H-pyrrolo[1,2-a]azepine-5,8-dione?
The IUPAC name of 6,7,9-trimethyl-2,3-dihydro-1H-pyrrolo[1,2-a]azepine-5,8-dione (CID 13253269) is 6,7,9-trimethyl-2,3-dihydro-1H-pyrrolo[1,2-a]azepine-5,8-dione.
What is the SMILES notation for 6,7,9-trimethyl-2,3-dihydro-1H-pyrrolo[1,2-a]azepine-5,8-dione?
The canonical SMILES for 6,7,9-trimethyl-2,3-dihydro-1H-pyrrolo[1,2-a]azepine-5,8-dione is Cc1c(C)c(=O)n2c(c(C)c1=O)CCC2.
What is the InChIKey of 6,7,9-trimethyl-2,3-dihydro-1H-pyrrolo[1,2-a]azepine-5,8-dione?
The InChIKey is QDZSGSDKDFTCTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-7-8(2)12(15)13-6-4-5-10(13)9(3)11(7)14/h4-6H2,1-3H3.
What are the key properties of 6,7,9-trimethyl-2,3-dihydro-1H-pyrrolo[1,2-a]azepine-5,8-dione?
6,7,9-trimethyl-2,3-dihydro-1H-pyrrolo[1,2-a]azepine-5,8-dione has a molecular weight of 205.26 g/mol, XLogP of 1.08, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7,9-trimethyl-2,3-dihydro-1H-pyrrolo[1,2-a]azepine-5,8-dione is sourced from PubChem (CID 13253269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).