3,6,7-trimethyl-1a,2-dihydro-1H-cyclopropa[c]indol-5-one

C12H15NO — CID 54196341

IUPAC3,6,7-trimethyl-1a,2-dihydro-1H-cyclopropa[c]indol-5-one
SMILESCC1=C(C)C23CC2CN(C)C3=CC1=O
InChIInChI=1S/C12H15NO/c1-7-8(2)12-5-9(12)6-13(3)11(12)4-10(7)14/h4,9H,5-6H2,1-3H3
InChIKeyPMBPXCUKSDFTCT-UHFFFAOYSA-N
MW189.26 g/mol
LogP1.74
Rot. Bonds

About 3,6,7-trimethyl-1a,2-dihydro-1H-cyclopropa[c]indol-5-one

3,6,7-trimethyl-1a,2-dihydro-1H-cyclopropa[c]indol-5-one (PubChem CID 54196341) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 3,6,7-trimethyl-1a,2-dihydro-1H-cyclopropa[c]indol-5-one.

Molecular Properties

Compound Name3,6,7-trimethyl-1a,2-dihydro-1H-cyclopropa[c]indol-5-one
PubChem CID54196341
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name3,6,7-trimethyl-1a,2-dihydro-1H-cyclopropa[c]indol-5-one
SMILESCC1=C(C)C23CC2CN(C)C3=CC1=O
InChIInChI=1S/C12H15NO/c1-7-8(2)12-5-9(12)6-13(3)11(12)4-10(7)14/h4,9H,5-6H2,1-3H3
InChIKeyPMBPXCUKSDFTCT-UHFFFAOYSA-N
XLogP1.74
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,6,7-trimethyl-1a,2-dihydro-1H-cyclopropa[c]indol-5-one?
The IUPAC name of 3,6,7-trimethyl-1a,2-dihydro-1H-cyclopropa[c]indol-5-one (CID 54196341) is 3,6,7-trimethyl-1a,2-dihydro-1H-cyclopropa[c]indol-5-one.
What is the SMILES notation for 3,6,7-trimethyl-1a,2-dihydro-1H-cyclopropa[c]indol-5-one?
The canonical SMILES for 3,6,7-trimethyl-1a,2-dihydro-1H-cyclopropa[c]indol-5-one is CC1=C(C)C23CC2CN(C)C3=CC1=O.
What is the InChIKey of 3,6,7-trimethyl-1a,2-dihydro-1H-cyclopropa[c]indol-5-one?
The InChIKey is PMBPXCUKSDFTCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-7-8(2)12-5-9(12)6-13(3)11(12)4-10(7)14/h4,9H,5-6H2,1-3H3.
What are the key properties of 3,6,7-trimethyl-1a,2-dihydro-1H-cyclopropa[c]indol-5-one?
3,6,7-trimethyl-1a,2-dihydro-1H-cyclopropa[c]indol-5-one has a molecular weight of 189.26 g/mol, XLogP of 1.74, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6,7-trimethyl-1a,2-dihydro-1H-cyclopropa[c]indol-5-one is sourced from PubChem (CID 54196341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).