N-[2-(7,8-dihydro-6H-cyclopenta[g][1,3]benzodioxol-8-yl)ethyl]propanamide

C15H19NO3 — CID 10934249

IUPACN-[2-(7,8-dihydro-6H-cyclopenta[g][1,3]benzodioxol-8-yl)ethyl]propanamide
SMILESCCC(=O)NCCC1CCc2ccc3c(c21)OCO3
InChIInChI=1S/C15H19NO3/c1-2-13(17)16-8-7-11-4-3-10-5-6-12-15(14(10)11)19-9-18-12/h5-6,11H,2-4,7-9H2,1H3,(H,16,17)
InChIKeyKGMDYPVRAGTEHR-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.36
Rot. Bonds4

About N-[2-(7,8-dihydro-6H-cyclopenta[g][1,3]benzodioxol-8-yl)ethyl]propanamide

N-[2-(7,8-dihydro-6H-cyclopenta[g][1,3]benzodioxol-8-yl)ethyl]propanamide (PubChem CID 10934249) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-[2-(7,8-dihydro-6H-cyclopenta[g][1,3]benzodioxol-8-yl)ethyl]propanamide.

Molecular Properties

Compound NameN-[2-(7,8-dihydro-6H-cyclopenta[g][1,3]benzodioxol-8-yl)ethyl]propanamide
PubChem CID10934249
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC NameN-[2-(7,8-dihydro-6H-cyclopenta[g][1,3]benzodioxol-8-yl)ethyl]propanamide
SMILESCCC(=O)NCCC1CCc2ccc3c(c21)OCO3
InChIInChI=1S/C15H19NO3/c1-2-13(17)16-8-7-11-4-3-10-5-6-12-15(14(10)11)19-9-18-12/h5-6,11H,2-4,7-9H2,1H3,(H,16,17)
InChIKeyKGMDYPVRAGTEHR-UHFFFAOYSA-N
XLogP2.36
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(7,8-dihydro-6H-cyclopenta[g][1,3]benzodioxol-8-yl)ethyl]propanamide?
The IUPAC name of N-[2-(7,8-dihydro-6H-cyclopenta[g][1,3]benzodioxol-8-yl)ethyl]propanamide (CID 10934249) is N-[2-(7,8-dihydro-6H-cyclopenta[g][1,3]benzodioxol-8-yl)ethyl]propanamide.
What is the SMILES notation for N-[2-(7,8-dihydro-6H-cyclopenta[g][1,3]benzodioxol-8-yl)ethyl]propanamide?
The canonical SMILES for N-[2-(7,8-dihydro-6H-cyclopenta[g][1,3]benzodioxol-8-yl)ethyl]propanamide is CCC(=O)NCCC1CCc2ccc3c(c21)OCO3.
What is the InChIKey of N-[2-(7,8-dihydro-6H-cyclopenta[g][1,3]benzodioxol-8-yl)ethyl]propanamide?
The InChIKey is KGMDYPVRAGTEHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-2-13(17)16-8-7-11-4-3-10-5-6-12-15(14(10)11)19-9-18-12/h5-6,11H,2-4,7-9H2,1H3,(H,16,17).
What are the key properties of N-[2-(7,8-dihydro-6H-cyclopenta[g][1,3]benzodioxol-8-yl)ethyl]propanamide?
N-[2-(7,8-dihydro-6H-cyclopenta[g][1,3]benzodioxol-8-yl)ethyl]propanamide has a molecular weight of 261.32 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(7,8-dihydro-6H-cyclopenta[g][1,3]benzodioxol-8-yl)ethyl]propanamide is sourced from PubChem (CID 10934249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).