N-[2-(5-methyl-1,2,5,5a,6,7-hexahydrocyclopenta[e][1]benzofuran-8-ylidene)ethyl]propanamide

C17H23NO2 — CID 123340751

IUPACN-[2-(5-methyl-1,2,5,5a,6,7-hexahydrocyclopenta[e][1]benzofuran-8-ylidene)ethyl]propanamide
SMILESCCC(=O)NCC=C1CCC2C1=C1CCOC1=CC2C
InChIInChI=1S/C17H23NO2/c1-3-16(19)18-8-6-12-4-5-13-11(2)10-15-14(17(12)13)7-9-20-15/h6,10-11,13H,3-5,7-9H2,1-2H3,(H,18,19)
InChIKeyXTTQJUCMSZPGJD-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.10
Rot. Bonds3

About N-[2-(5-methyl-1,2,5,5a,6,7-hexahydrocyclopenta[e][1]benzofuran-8-ylidene)ethyl]propanamide

N-[2-(5-methyl-1,2,5,5a,6,7-hexahydrocyclopenta[e][1]benzofuran-8-ylidene)ethyl]propanamide (PubChem CID 123340751) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is N-[2-(5-methyl-1,2,5,5a,6,7-hexahydrocyclopenta[e][1]benzofuran-8-ylidene)ethyl]propanamide.

Molecular Properties

Compound NameN-[2-(5-methyl-1,2,5,5a,6,7-hexahydrocyclopenta[e][1]benzofuran-8-ylidene)ethyl]propanamide
PubChem CID123340751
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC NameN-[2-(5-methyl-1,2,5,5a,6,7-hexahydrocyclopenta[e][1]benzofuran-8-ylidene)ethyl]propanamide
SMILESCCC(=O)NCC=C1CCC2C1=C1CCOC1=CC2C
InChIInChI=1S/C17H23NO2/c1-3-16(19)18-8-6-12-4-5-13-11(2)10-15-14(17(12)13)7-9-20-15/h6,10-11,13H,3-5,7-9H2,1-2H3,(H,18,19)
InChIKeyXTTQJUCMSZPGJD-UHFFFAOYSA-N
XLogP3.10
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2,3a,6,8b-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl)ethyl]propanamide
CID 66799785
N-[2-(2,5,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl)ethyl]butanamide
CID 69277161
N-[2-[(3aS)-2,3a,4,6,7,8-hexahydro-1H-cyclopenta[e][1]benzofuran-8-yl]ethyl]propanamide
CID 71245372
N-[2-[2-(2-ethylideneoxolan-3-ylidene)-3-methylidenecyclopentyl]ethyl]propanamide
CID 123797094
N-[2-(2,5,5a,6,7,8-hexahydro-1H-cyclopenta[e][1]benzofuran-8-yl)ethyl]propanamide
CID 123939625
N-[2-[(2Z)-2-[(2E)-2-ethylideneoxolan-3-ylidene]-3-methylidenecyclopentyl]ethyl]propanamide
CID 163459212
N-[2-[(8S)-2,5,5a,6,7,8-hexahydro-1H-cyclopenta[e][1]benzofuran-8-yl]ethyl]propanamide
CID 163672061

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methyl-1,2,5,5a,6,7-hexahydrocyclopenta[e][1]benzofuran-8-ylidene)ethyl]propanamide?
The IUPAC name of N-[2-(5-methyl-1,2,5,5a,6,7-hexahydrocyclopenta[e][1]benzofuran-8-ylidene)ethyl]propanamide (CID 123340751) is N-[2-(5-methyl-1,2,5,5a,6,7-hexahydrocyclopenta[e][1]benzofuran-8-ylidene)ethyl]propanamide.
What is the SMILES notation for N-[2-(5-methyl-1,2,5,5a,6,7-hexahydrocyclopenta[e][1]benzofuran-8-ylidene)ethyl]propanamide?
The canonical SMILES for N-[2-(5-methyl-1,2,5,5a,6,7-hexahydrocyclopenta[e][1]benzofuran-8-ylidene)ethyl]propanamide is CCC(=O)NCC=C1CCC2C1=C1CCOC1=CC2C.
What is the InChIKey of N-[2-(5-methyl-1,2,5,5a,6,7-hexahydrocyclopenta[e][1]benzofuran-8-ylidene)ethyl]propanamide?
The InChIKey is XTTQJUCMSZPGJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-3-16(19)18-8-6-12-4-5-13-11(2)10-15-14(17(12)13)7-9-20-15/h6,10-11,13H,3-5,7-9H2,1-2H3,(H,18,19).
What are the key properties of N-[2-(5-methyl-1,2,5,5a,6,7-hexahydrocyclopenta[e][1]benzofuran-8-ylidene)ethyl]propanamide?
N-[2-(5-methyl-1,2,5,5a,6,7-hexahydrocyclopenta[e][1]benzofuran-8-ylidene)ethyl]propanamide has a molecular weight of 273.38 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methyl-1,2,5,5a,6,7-hexahydrocyclopenta[e][1]benzofuran-8-ylidene)ethyl]propanamide is sourced from PubChem (CID 123340751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).