N-[2-(2,3a,6,8b-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl)ethyl]propanamide

C16H21NO2 — CID 66799785

IUPACN-[2-(2,3a,6,8b-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl)ethyl]propanamide
SMILESCCC(=O)NCCC1=CCC2=C1C1CCOC1C=C2
InChIInChI=1S/C16H21NO2/c1-2-15(18)17-9-7-12-4-3-11-5-6-14-13(16(11)12)8-10-19-14/h4-6,13-14H,2-3,7-10H2,1H3,(H,17,18)
InChIKeyHBSGNEOJIYOFMV-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.50
Rot. Bonds4

About N-[2-(2,3a,6,8b-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl)ethyl]propanamide

N-[2-(2,3a,6,8b-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl)ethyl]propanamide (PubChem CID 66799785) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is N-[2-(2,3a,6,8b-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl)ethyl]propanamide.

Molecular Properties

Compound NameN-[2-(2,3a,6,8b-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl)ethyl]propanamide
PubChem CID66799785
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC NameN-[2-(2,3a,6,8b-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl)ethyl]propanamide
SMILESCCC(=O)NCCC1=CCC2=C1C1CCOC1C=C2
InChIInChI=1S/C16H21NO2/c1-2-15(18)17-9-7-12-4-3-11-5-6-14-13(16(11)12)8-10-19-14/h4-6,13-14H,2-3,7-10H2,1H3,(H,17,18)
InChIKeyHBSGNEOJIYOFMV-UHFFFAOYSA-N
XLogP2.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3a,6,8b-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl)ethyl]propanamide?
The IUPAC name of N-[2-(2,3a,6,8b-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl)ethyl]propanamide (CID 66799785) is N-[2-(2,3a,6,8b-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl)ethyl]propanamide.
What is the SMILES notation for N-[2-(2,3a,6,8b-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl)ethyl]propanamide?
The canonical SMILES for N-[2-(2,3a,6,8b-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl)ethyl]propanamide is CCC(=O)NCCC1=CCC2=C1C1CCOC1C=C2.
What is the InChIKey of N-[2-(2,3a,6,8b-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl)ethyl]propanamide?
The InChIKey is HBSGNEOJIYOFMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-2-15(18)17-9-7-12-4-3-11-5-6-14-13(16(11)12)8-10-19-14/h4-6,13-14H,2-3,7-10H2,1H3,(H,17,18).
What are the key properties of N-[2-(2,3a,6,8b-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl)ethyl]propanamide?
N-[2-(2,3a,6,8b-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl)ethyl]propanamide has a molecular weight of 259.35 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3a,6,8b-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl)ethyl]propanamide is sourced from PubChem (CID 66799785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).