N-[2-(1,2,3,7,8,9-hexahydrocyclopenta[f]chromen-9-yl)ethyl]propanamide

C17H23NO2 — CID 11086940

IUPACN-[2-(1,2,3,7,8,9-hexahydrocyclopenta[f]chromen-9-yl)ethyl]propanamide
SMILESCCC(=O)NCCC1CCc2ccc3c(c21)CCCO3
InChIInChI=1S/C17H23NO2/c1-2-16(19)18-10-9-13-6-5-12-7-8-15-14(17(12)13)4-3-11-20-15/h7-8,13H,2-6,9-11H2,1H3,(H,18,19)
InChIKeyIXMSRAZUUSCUJA-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.96
Rot. Bonds4

About N-[2-(1,2,3,7,8,9-hexahydrocyclopenta[f]chromen-9-yl)ethyl]propanamide

N-[2-(1,2,3,7,8,9-hexahydrocyclopenta[f]chromen-9-yl)ethyl]propanamide (PubChem CID 11086940) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is N-[2-(1,2,3,7,8,9-hexahydrocyclopenta[f]chromen-9-yl)ethyl]propanamide.

Molecular Properties

Compound NameN-[2-(1,2,3,7,8,9-hexahydrocyclopenta[f]chromen-9-yl)ethyl]propanamide
PubChem CID11086940
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC NameN-[2-(1,2,3,7,8,9-hexahydrocyclopenta[f]chromen-9-yl)ethyl]propanamide
SMILESCCC(=O)NCCC1CCc2ccc3c(c21)CCCO3
InChIInChI=1S/C17H23NO2/c1-2-16(19)18-10-9-13-6-5-12-7-8-15-14(17(12)13)4-3-11-20-15/h7-8,13H,2-6,9-11H2,1H3,(H,18,19)
InChIKeyIXMSRAZUUSCUJA-UHFFFAOYSA-N
XLogP2.96
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1,2,3,7,8,9-hexahydrocyclopenta[f]chromen-9-yl)ethyl]propanamide?
The IUPAC name of N-[2-(1,2,3,7,8,9-hexahydrocyclopenta[f]chromen-9-yl)ethyl]propanamide (CID 11086940) is N-[2-(1,2,3,7,8,9-hexahydrocyclopenta[f]chromen-9-yl)ethyl]propanamide.
What is the SMILES notation for N-[2-(1,2,3,7,8,9-hexahydrocyclopenta[f]chromen-9-yl)ethyl]propanamide?
The canonical SMILES for N-[2-(1,2,3,7,8,9-hexahydrocyclopenta[f]chromen-9-yl)ethyl]propanamide is CCC(=O)NCCC1CCc2ccc3c(c21)CCCO3.
What is the InChIKey of N-[2-(1,2,3,7,8,9-hexahydrocyclopenta[f]chromen-9-yl)ethyl]propanamide?
The InChIKey is IXMSRAZUUSCUJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-2-16(19)18-10-9-13-6-5-12-7-8-15-14(17(12)13)4-3-11-20-15/h7-8,13H,2-6,9-11H2,1H3,(H,18,19).
What are the key properties of N-[2-(1,2,3,7,8,9-hexahydrocyclopenta[f]chromen-9-yl)ethyl]propanamide?
N-[2-(1,2,3,7,8,9-hexahydrocyclopenta[f]chromen-9-yl)ethyl]propanamide has a molecular weight of 273.38 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,2,3,7,8,9-hexahydrocyclopenta[f]chromen-9-yl)ethyl]propanamide is sourced from PubChem (CID 11086940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).