3-methyl-7-(2-oxopropyl)-1a,2-dihydro-1H-cyclopropa[c]indol-5-one

C13H15NO2 — CID 143030128

IUPAC3-methyl-7-(2-oxopropyl)-1a,2-dihydro-1H-cyclopropa[c]indol-5-one
SMILESCC(=O)CC1=CC(=O)C=C2N(C)CC3CC123
InChIInChI=1S/C13H15NO2/c1-8(15)3-9-4-11(16)5-12-13(9)6-10(13)7-14(12)2/h4-5,10H,3,6-7H2,1-2H3
InChIKeyITUHFWCJAVXZTR-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.31
Rot. Bonds2

About 3-methyl-7-(2-oxopropyl)-1a,2-dihydro-1H-cyclopropa[c]indol-5-one

3-methyl-7-(2-oxopropyl)-1a,2-dihydro-1H-cyclopropa[c]indol-5-one (PubChem CID 143030128) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 3-methyl-7-(2-oxopropyl)-1a,2-dihydro-1H-cyclopropa[c]indol-5-one.

Molecular Properties

Compound Name3-methyl-7-(2-oxopropyl)-1a,2-dihydro-1H-cyclopropa[c]indol-5-one
PubChem CID143030128
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name3-methyl-7-(2-oxopropyl)-1a,2-dihydro-1H-cyclopropa[c]indol-5-one
SMILESCC(=O)CC1=CC(=O)C=C2N(C)CC3CC123
InChIInChI=1S/C13H15NO2/c1-8(15)3-9-4-11(16)5-12-13(9)6-10(13)7-14(12)2/h4-5,10H,3,6-7H2,1-2H3
InChIKeyITUHFWCJAVXZTR-UHFFFAOYSA-N
XLogP1.31
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-7-(2-oxopropyl)-1a,2-dihydro-1H-cyclopropa[c]indol-5-one?
The IUPAC name of 3-methyl-7-(2-oxopropyl)-1a,2-dihydro-1H-cyclopropa[c]indol-5-one (CID 143030128) is 3-methyl-7-(2-oxopropyl)-1a,2-dihydro-1H-cyclopropa[c]indol-5-one.
What is the SMILES notation for 3-methyl-7-(2-oxopropyl)-1a,2-dihydro-1H-cyclopropa[c]indol-5-one?
The canonical SMILES for 3-methyl-7-(2-oxopropyl)-1a,2-dihydro-1H-cyclopropa[c]indol-5-one is CC(=O)CC1=CC(=O)C=C2N(C)CC3CC123.
What is the InChIKey of 3-methyl-7-(2-oxopropyl)-1a,2-dihydro-1H-cyclopropa[c]indol-5-one?
The InChIKey is ITUHFWCJAVXZTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-8(15)3-9-4-11(16)5-12-13(9)6-10(13)7-14(12)2/h4-5,10H,3,6-7H2,1-2H3.
What are the key properties of 3-methyl-7-(2-oxopropyl)-1a,2-dihydro-1H-cyclopropa[c]indol-5-one?
3-methyl-7-(2-oxopropyl)-1a,2-dihydro-1H-cyclopropa[c]indol-5-one has a molecular weight of 217.27 g/mol, XLogP of 1.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-7-(2-oxopropyl)-1a,2-dihydro-1H-cyclopropa[c]indol-5-one is sourced from PubChem (CID 143030128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).