2,6-dimethyl-7,8-dihydro-6H-cyclohepta[c]pyrrole-1,3-dione

C11H13NO2 — CID 146915530

IUPAC2,6-dimethyl-7,8-dihydro-6H-cyclohepta[c]pyrrole-1,3-dione
SMILESCC1C=CC2=C(CC1)C(=O)N(C)C2=O
InChIInChI=1S/C11H13NO2/c1-7-3-5-8-9(6-4-7)11(14)12(2)10(8)13/h3,5,7H,4,6H2,1-2H3
InChIKeyACDQBGMQBHOGSA-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.27
Rot. Bonds

About 2,6-dimethyl-7,8-dihydro-6H-cyclohepta[c]pyrrole-1,3-dione

2,6-dimethyl-7,8-dihydro-6H-cyclohepta[c]pyrrole-1,3-dione (PubChem CID 146915530) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 2,6-dimethyl-7,8-dihydro-6H-cyclohepta[c]pyrrole-1,3-dione.

Molecular Properties

Compound Name2,6-dimethyl-7,8-dihydro-6H-cyclohepta[c]pyrrole-1,3-dione
PubChem CID146915530
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name2,6-dimethyl-7,8-dihydro-6H-cyclohepta[c]pyrrole-1,3-dione
SMILESCC1C=CC2=C(CC1)C(=O)N(C)C2=O
InChIInChI=1S/C11H13NO2/c1-7-3-5-8-9(6-4-7)11(14)12(2)10(8)13/h3,5,7H,4,6H2,1-2H3
InChIKeyACDQBGMQBHOGSA-UHFFFAOYSA-N
XLogP1.27
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

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CID 167189611
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CID 118603992
4-methylcyclooct-2-en-1-one
CID 91000254
7,17-dimethyl-7,17-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,5(9),11,15(19)-pentaene-6,8,16,18-tetrone;ethane
CID 123946447
2-methyl-8H-pyrrolo[3,4-c]azepine-1,3-dione
CID 142053700
2,2-difluoro-6-methyl-7,8-dihydro-6H-cyclohepta[d][1,3]dioxole
CID 162547589
(5R)-9-methyl-5-oxo-10,11-dihydro-9H-cyclohepta[c][2,1]benzoxaphosphinin-5-amine
CID 163499108
2,6-dimethyl-6-phosphanylcyclohepta[c]pyrrole-1,3-dione
CID 143478279
(5S)-1-fluoro-2,5-dimethylcyclohexa-1,3-diene
CID 70325778
(4S,6S)-4-methyl-6-phosphanylcyclohex-2-en-1-one
CID 126757319
(3aR)-7-methyl-3a,4,5,8-tetrahydro-3H-furo[3,4-e]isoindol-6-one
CID 139090362
2-(4-hydroxycyclohexyl)-4,5-dihydroisoindole-1,3-dione
CID 144727312

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-7,8-dihydro-6H-cyclohepta[c]pyrrole-1,3-dione?
The IUPAC name of 2,6-dimethyl-7,8-dihydro-6H-cyclohepta[c]pyrrole-1,3-dione (CID 146915530) is 2,6-dimethyl-7,8-dihydro-6H-cyclohepta[c]pyrrole-1,3-dione.
What is the SMILES notation for 2,6-dimethyl-7,8-dihydro-6H-cyclohepta[c]pyrrole-1,3-dione?
The canonical SMILES for 2,6-dimethyl-7,8-dihydro-6H-cyclohepta[c]pyrrole-1,3-dione is CC1C=CC2=C(CC1)C(=O)N(C)C2=O.
What is the InChIKey of 2,6-dimethyl-7,8-dihydro-6H-cyclohepta[c]pyrrole-1,3-dione?
The InChIKey is ACDQBGMQBHOGSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-7-3-5-8-9(6-4-7)11(14)12(2)10(8)13/h3,5,7H,4,6H2,1-2H3.
What are the key properties of 2,6-dimethyl-7,8-dihydro-6H-cyclohepta[c]pyrrole-1,3-dione?
2,6-dimethyl-7,8-dihydro-6H-cyclohepta[c]pyrrole-1,3-dione has a molecular weight of 191.23 g/mol, XLogP of 1.27, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-7,8-dihydro-6H-cyclohepta[c]pyrrole-1,3-dione is sourced from PubChem (CID 146915530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).