(1aR,3aS,7aR)-1a,3-dimethyl-3a,4-dihydro-1H-cyclopropa[c]indole-2,5-dione

C11H13NO2 — CID 134957437

IUPAC(1aR,3aS,7aR)-1a,3-dimethyl-3a,4-dihydro-1H-cyclopropa[c]indole-2,5-dione
SMILESCN1C(=O)[C@]2(C)C[C@@]23C=CC(=O)C[C@H]13
InChIInChI=1S/C11H13NO2/c1-10-6-11(10)4-3-7(13)5-8(11)12(2)9(10)14/h3-4,8H,5-6H2,1-2H3/t8-,10-,11+/m0/s1
InChIKeyYAZYEAWTGHKXIL-INTQDDNPSA-N
MW191.23 g/mol
LogP0.75
Rot. Bonds

About (1aR,3aS,7aR)-1a,3-dimethyl-3a,4-dihydro-1H-cyclopropa[c]indole-2,5-dione

(1aR,3aS,7aR)-1a,3-dimethyl-3a,4-dihydro-1H-cyclopropa[c]indole-2,5-dione (PubChem CID 134957437) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is (1aR,3aS,7aR)-1a,3-dimethyl-3a,4-dihydro-1H-cyclopropa[c]indole-2,5-dione.

Molecular Properties

Compound Name(1aR,3aS,7aR)-1a,3-dimethyl-3a,4-dihydro-1H-cyclopropa[c]indole-2,5-dione
PubChem CID134957437
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name(1aR,3aS,7aR)-1a,3-dimethyl-3a,4-dihydro-1H-cyclopropa[c]indole-2,5-dione
SMILESCN1C(=O)[C@]2(C)C[C@@]23C=CC(=O)C[C@H]13
InChIInChI=1S/C11H13NO2/c1-10-6-11(10)4-3-7(13)5-8(11)12(2)9(10)14/h3-4,8H,5-6H2,1-2H3/t8-,10-,11+/m0/s1
InChIKeyYAZYEAWTGHKXIL-INTQDDNPSA-N
XLogP0.75
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 ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1aR,3aS,7aR)-1a,3-dimethyl-3a,4-dihydro-1H-cyclopropa[c]indole-2,5-dione with MolForge

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Related Compounds

methyl (1aS,3aR,7aS)-1a-methyl-5-oxo-1,2,3a,4-tetrahydrocyclopropa[c]indole-3-carboxylate
CID 53329381
(1R,2S,7R,11R)-2-ethyl-1-methyl-4-azatricyclo[5.3.2.04,11]dodec-9-ene-5,8-dione
CID 132486686
(1aS,3aS,7aS)-1a,3-dimethyl-3a,4-dihydro-1H-cyclopropa[c]indole-2,5-dione
CID 134964718
(3aR)-1a-methyl-3-methylidene-3a,4-dihydro-1H-cyclopropa[c]indol-3-ium-2,5-dione
CID 138968623
(3aR)-1a,3-dimethyl-3a,4-dihydro-1H-cyclopropa[c]indole-2,5-dione
CID 138969404
1a,3-dimethyl-6,7-dihydro-1H-cyclopropa[c]indole-2,5-dione
CID 138969405
(3aS)-1a,3-dimethyl-3a,4-dihydro-1H-cyclopropa[c]indole-2,5-dione
CID 138969643
(2S,6S,12S)-2,12-dimethyl-10-prop-2-enoyl-4-azatetracyclo[9.3.1.04,13.06,12]pentadeca-9,11(15)-dien-5-one
CID 146161979
11-Acetyl-11-azatetracyclo[8.4.0.01,13.03,8]tetradeca-3(8),9-dien-2-one
CID 59962453
(1aR,3aS,7aR)-1a,3-dimethyl-1,2,3a,4-tetrahydrocyclopropa[c]indol-5-one
CID 177626844

Frequently Asked Questions

What is the IUPAC name of (1aR,3aS,7aR)-1a,3-dimethyl-3a,4-dihydro-1H-cyclopropa[c]indole-2,5-dione?
The IUPAC name of (1aR,3aS,7aR)-1a,3-dimethyl-3a,4-dihydro-1H-cyclopropa[c]indole-2,5-dione (CID 134957437) is (1aR,3aS,7aR)-1a,3-dimethyl-3a,4-dihydro-1H-cyclopropa[c]indole-2,5-dione.
What is the SMILES notation for (1aR,3aS,7aR)-1a,3-dimethyl-3a,4-dihydro-1H-cyclopropa[c]indole-2,5-dione?
The canonical SMILES for (1aR,3aS,7aR)-1a,3-dimethyl-3a,4-dihydro-1H-cyclopropa[c]indole-2,5-dione is CN1C(=O)[C@]2(C)C[C@@]23C=CC(=O)C[C@H]13.
What is the InChIKey of (1aR,3aS,7aR)-1a,3-dimethyl-3a,4-dihydro-1H-cyclopropa[c]indole-2,5-dione?
The InChIKey is YAZYEAWTGHKXIL-INTQDDNPSA-N. The full InChI is InChI=1S/C11H13NO2/c1-10-6-11(10)4-3-7(13)5-8(11)12(2)9(10)14/h3-4,8H,5-6H2,1-2H3/t8-,10-,11+/m0/s1.
What are the key properties of (1aR,3aS,7aR)-1a,3-dimethyl-3a,4-dihydro-1H-cyclopropa[c]indole-2,5-dione?
(1aR,3aS,7aR)-1a,3-dimethyl-3a,4-dihydro-1H-cyclopropa[c]indole-2,5-dione has a molecular weight of 191.23 g/mol, XLogP of 0.75, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1aR,3aS,7aR)-1a,3-dimethyl-3a,4-dihydro-1H-cyclopropa[c]indole-2,5-dione is sourced from PubChem (CID 134957437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).