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

C11H11NO2 — CID 134964816

IUPAC(1aS,7aS)-1a,3-dimethyl-1H-cyclopropa[c]indole-2,5-dione
SMILESCN1C(=O)[C@@]2(C)C[C@]23C=CC(=O)C=C13
InChIInChI=1S/C11H11NO2/c1-10-6-11(10)4-3-7(13)5-8(11)12(2)9(10)14/h3-5H,6H2,1-2H3/t10-,11+/m1/s1
InChIKeyAHZSBRJLKPRVBY-MNOVXSKESA-N
MW189.21 g/mol
LogP0.88
Rot. Bonds

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

(1aS,7aS)-1a,3-dimethyl-1H-cyclopropa[c]indole-2,5-dione (PubChem CID 134964816) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is (1aS,7aS)-1a,3-dimethyl-1H-cyclopropa[c]indole-2,5-dione.

Molecular Properties

Compound Name(1aS,7aS)-1a,3-dimethyl-1H-cyclopropa[c]indole-2,5-dione
PubChem CID134964816
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name(1aS,7aS)-1a,3-dimethyl-1H-cyclopropa[c]indole-2,5-dione
SMILESCN1C(=O)[C@@]2(C)C[C@]23C=CC(=O)C=C13
InChIInChI=1S/C11H11NO2/c1-10-6-11(10)4-3-7(13)5-8(11)12(2)9(10)14/h3-5H,6H2,1-2H3/t10-,11+/m1/s1
InChIKeyAHZSBRJLKPRVBY-MNOVXSKESA-N
XLogP0.88
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1aS,7aS)-1a,3-dimethyl-1H-cyclopropa[c]indole-2,5-dione?
The IUPAC name of (1aS,7aS)-1a,3-dimethyl-1H-cyclopropa[c]indole-2,5-dione (CID 134964816) is (1aS,7aS)-1a,3-dimethyl-1H-cyclopropa[c]indole-2,5-dione.
What is the SMILES notation for (1aS,7aS)-1a,3-dimethyl-1H-cyclopropa[c]indole-2,5-dione?
The canonical SMILES for (1aS,7aS)-1a,3-dimethyl-1H-cyclopropa[c]indole-2,5-dione is CN1C(=O)[C@@]2(C)C[C@]23C=CC(=O)C=C13.
What is the InChIKey of (1aS,7aS)-1a,3-dimethyl-1H-cyclopropa[c]indole-2,5-dione?
The InChIKey is AHZSBRJLKPRVBY-MNOVXSKESA-N. The full InChI is InChI=1S/C11H11NO2/c1-10-6-11(10)4-3-7(13)5-8(11)12(2)9(10)14/h3-5H,6H2,1-2H3/t10-,11+/m1/s1.
What are the key properties of (1aS,7aS)-1a,3-dimethyl-1H-cyclopropa[c]indole-2,5-dione?
(1aS,7aS)-1a,3-dimethyl-1H-cyclopropa[c]indole-2,5-dione has a molecular weight of 189.21 g/mol, XLogP of 0.88, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1aS,7aS)-1a,3-dimethyl-1H-cyclopropa[c]indole-2,5-dione is sourced from PubChem (CID 134964816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).