1a,3-dimethyl-6,7-dihydro-1H-cyclopropa[c]indole-2,5-dione

C11H13NO2 — CID 138969405

IUPAC1a,3-dimethyl-6,7-dihydro-1H-cyclopropa[c]indole-2,5-dione
SMILESCN1C(=O)C2(C)CC23CCC(=O)C=C13
InChIInChI=1S/C11H13NO2/c1-10-6-11(10)4-3-7(13)5-8(11)12(2)9(10)14/h5H,3-4,6H2,1-2H3
InChIKeyTVSMEJBMNVWKCD-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.10
Rot. Bonds

About 1a,3-dimethyl-6,7-dihydro-1H-cyclopropa[c]indole-2,5-dione

1a,3-dimethyl-6,7-dihydro-1H-cyclopropa[c]indole-2,5-dione (PubChem CID 138969405) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 1a,3-dimethyl-6,7-dihydro-1H-cyclopropa[c]indole-2,5-dione.

Molecular Properties

Compound Name1a,3-dimethyl-6,7-dihydro-1H-cyclopropa[c]indole-2,5-dione
PubChem CID138969405
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name1a,3-dimethyl-6,7-dihydro-1H-cyclopropa[c]indole-2,5-dione
SMILESCN1C(=O)C2(C)CC23CCC(=O)C=C13
InChIInChI=1S/C11H13NO2/c1-10-6-11(10)4-3-7(13)5-8(11)12(2)9(10)14/h5H,3-4,6H2,1-2H3
InChIKeyTVSMEJBMNVWKCD-UHFFFAOYSA-N
XLogP1.10
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 ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1a,3-dimethyl-6,7-dihydro-1H-cyclopropa[c]indole-2,5-dione?
The IUPAC name of 1a,3-dimethyl-6,7-dihydro-1H-cyclopropa[c]indole-2,5-dione (CID 138969405) is 1a,3-dimethyl-6,7-dihydro-1H-cyclopropa[c]indole-2,5-dione.
What is the SMILES notation for 1a,3-dimethyl-6,7-dihydro-1H-cyclopropa[c]indole-2,5-dione?
The canonical SMILES for 1a,3-dimethyl-6,7-dihydro-1H-cyclopropa[c]indole-2,5-dione is CN1C(=O)C2(C)CC23CCC(=O)C=C13.
What is the InChIKey of 1a,3-dimethyl-6,7-dihydro-1H-cyclopropa[c]indole-2,5-dione?
The InChIKey is TVSMEJBMNVWKCD-UHFFFAOYSA-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/h5H,3-4,6H2,1-2H3.
What are the key properties of 1a,3-dimethyl-6,7-dihydro-1H-cyclopropa[c]indole-2,5-dione?
1a,3-dimethyl-6,7-dihydro-1H-cyclopropa[c]indole-2,5-dione has a molecular weight of 191.23 g/mol, XLogP of 1.10, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1a,3-dimethyl-6,7-dihydro-1H-cyclopropa[c]indole-2,5-dione is sourced from PubChem (CID 138969405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).