N-[(5S)-7-oxo-5,6-dihydrocyclopenta[f][1,3]benzodioxol-5-yl]cyclopropanecarboxamide

C14H13NO4 — CID 1472782

IUPACN-[(5S)-7-oxo-5,6-dihydrocyclopenta[f][1,3]benzodioxol-5-yl]cyclopropanecarboxamide
SMILESO=C1C[C@H](NC(=O)C2CC2)c2cc3c(cc21)OCO3
InChIInChI=1S/C14H13NO4/c16-11-5-10(15-14(17)7-1-2-7)8-3-12-13(4-9(8)11)19-6-18-12/h3-4,7,10H,1-2,5-6H2,(H,15,17)/t10-/m0/s1
InChIKeyGJOPJVVNEDEQON-JTQLQIEISA-N
MW259.26 g/mol
LogP1.57
Rot. Bonds2

About N-[(5S)-7-oxo-5,6-dihydrocyclopenta[f][1,3]benzodioxol-5-yl]cyclopropanecarboxamide

N-[(5S)-7-oxo-5,6-dihydrocyclopenta[f][1,3]benzodioxol-5-yl]cyclopropanecarboxamide (PubChem CID 1472782) has the molecular formula C14H13NO4 and a molecular weight of 259.26 g/mol. Its IUPAC name is N-[(5S)-7-oxo-5,6-dihydrocyclopenta[f][1,3]benzodioxol-5-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(5S)-7-oxo-5,6-dihydrocyclopenta[f][1,3]benzodioxol-5-yl]cyclopropanecarboxamide
PubChem CID1472782
Molecular FormulaC14H13NO4
Molecular Weight259.26 g/mol
Exact Mass259.08
IUPAC NameN-[(5S)-7-oxo-5,6-dihydrocyclopenta[f][1,3]benzodioxol-5-yl]cyclopropanecarboxamide
SMILESO=C1C[C@H](NC(=O)C2CC2)c2cc3c(cc21)OCO3
InChIInChI=1S/C14H13NO4/c16-11-5-10(15-14(17)7-1-2-7)8-3-12-13(4-9(8)11)19-6-18-12/h3-4,7,10H,1-2,5-6H2,(H,15,17)/t10-/m0/s1
InChIKeyGJOPJVVNEDEQON-JTQLQIEISA-N
XLogP1.57
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5S)-7-oxo-5,6-dihydrocyclopenta[f][1,3]benzodioxol-5-yl]cyclopropanecarboxamide?
The IUPAC name of N-[(5S)-7-oxo-5,6-dihydrocyclopenta[f][1,3]benzodioxol-5-yl]cyclopropanecarboxamide (CID 1472782) is N-[(5S)-7-oxo-5,6-dihydrocyclopenta[f][1,3]benzodioxol-5-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(5S)-7-oxo-5,6-dihydrocyclopenta[f][1,3]benzodioxol-5-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[(5S)-7-oxo-5,6-dihydrocyclopenta[f][1,3]benzodioxol-5-yl]cyclopropanecarboxamide is O=C1C[C@H](NC(=O)C2CC2)c2cc3c(cc21)OCO3.
What is the InChIKey of N-[(5S)-7-oxo-5,6-dihydrocyclopenta[f][1,3]benzodioxol-5-yl]cyclopropanecarboxamide?
The InChIKey is GJOPJVVNEDEQON-JTQLQIEISA-N. The full InChI is InChI=1S/C14H13NO4/c16-11-5-10(15-14(17)7-1-2-7)8-3-12-13(4-9(8)11)19-6-18-12/h3-4,7,10H,1-2,5-6H2,(H,15,17)/t10-/m0/s1.
What are the key properties of N-[(5S)-7-oxo-5,6-dihydrocyclopenta[f][1,3]benzodioxol-5-yl]cyclopropanecarboxamide?
N-[(5S)-7-oxo-5,6-dihydrocyclopenta[f][1,3]benzodioxol-5-yl]cyclopropanecarboxamide has a molecular weight of 259.26 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5S)-7-oxo-5,6-dihydrocyclopenta[f][1,3]benzodioxol-5-yl]cyclopropanecarboxamide is sourced from PubChem (CID 1472782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).