N-[2-(3,7,8,9-tetrahydro-2H-cyclopenta[h][1,4]benzodioxin-9-yl)ethyl]propanamide

C16H21NO3 — CID 10967744

IUPACN-[2-(3,7,8,9-tetrahydro-2H-cyclopenta[h][1,4]benzodioxin-9-yl)ethyl]propanamide
SMILESCCC(=O)NCCC1CCc2ccc3c(c21)OCCO3
InChIInChI=1S/C16H21NO3/c1-2-14(18)17-8-7-12-4-3-11-5-6-13-16(15(11)12)20-10-9-19-13/h5-6,12H,2-4,7-10H2,1H3,(H,17,18)
InChIKeyISWKMBFZJOJGPJ-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.40
Rot. Bonds4

About N-[2-(3,7,8,9-tetrahydro-2H-cyclopenta[h][1,4]benzodioxin-9-yl)ethyl]propanamide

N-[2-(3,7,8,9-tetrahydro-2H-cyclopenta[h][1,4]benzodioxin-9-yl)ethyl]propanamide (PubChem CID 10967744) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-[2-(3,7,8,9-tetrahydro-2H-cyclopenta[h][1,4]benzodioxin-9-yl)ethyl]propanamide.

Molecular Properties

Compound NameN-[2-(3,7,8,9-tetrahydro-2H-cyclopenta[h][1,4]benzodioxin-9-yl)ethyl]propanamide
PubChem CID10967744
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC NameN-[2-(3,7,8,9-tetrahydro-2H-cyclopenta[h][1,4]benzodioxin-9-yl)ethyl]propanamide
SMILESCCC(=O)NCCC1CCc2ccc3c(c21)OCCO3
InChIInChI=1S/C16H21NO3/c1-2-14(18)17-8-7-12-4-3-11-5-6-13-16(15(11)12)20-10-9-19-13/h5-6,12H,2-4,7-10H2,1H3,(H,17,18)
InChIKeyISWKMBFZJOJGPJ-UHFFFAOYSA-N
XLogP2.40
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,7,8,9-tetrahydro-2H-cyclopenta[h][1,4]benzodioxin-9-yl)ethyl]propanamide?
The IUPAC name of N-[2-(3,7,8,9-tetrahydro-2H-cyclopenta[h][1,4]benzodioxin-9-yl)ethyl]propanamide (CID 10967744) is N-[2-(3,7,8,9-tetrahydro-2H-cyclopenta[h][1,4]benzodioxin-9-yl)ethyl]propanamide.
What is the SMILES notation for N-[2-(3,7,8,9-tetrahydro-2H-cyclopenta[h][1,4]benzodioxin-9-yl)ethyl]propanamide?
The canonical SMILES for N-[2-(3,7,8,9-tetrahydro-2H-cyclopenta[h][1,4]benzodioxin-9-yl)ethyl]propanamide is CCC(=O)NCCC1CCc2ccc3c(c21)OCCO3.
What is the InChIKey of N-[2-(3,7,8,9-tetrahydro-2H-cyclopenta[h][1,4]benzodioxin-9-yl)ethyl]propanamide?
The InChIKey is ISWKMBFZJOJGPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-2-14(18)17-8-7-12-4-3-11-5-6-13-16(15(11)12)20-10-9-19-13/h5-6,12H,2-4,7-10H2,1H3,(H,17,18).
What are the key properties of N-[2-(3,7,8,9-tetrahydro-2H-cyclopenta[h][1,4]benzodioxin-9-yl)ethyl]propanamide?
N-[2-(3,7,8,9-tetrahydro-2H-cyclopenta[h][1,4]benzodioxin-9-yl)ethyl]propanamide has a molecular weight of 275.35 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,7,8,9-tetrahydro-2H-cyclopenta[h][1,4]benzodioxin-9-yl)ethyl]propanamide is sourced from PubChem (CID 10967744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).