6-(1,3-dihydroxy-4,5,6,7-tetrahydroisoindol-2-yl)-5-fluorospiro[1H-indole-3,1'-cyclopropane]-2-one

C18H17FN2O3 — CID 54437926

IUPAC6-(1,3-dihydroxy-4,5,6,7-tetrahydroisoindol-2-yl)-5-fluorospiro[1H-indole-3,1'-cyclopropane]-2-one
SMILESO=C1Nc2cc(-n3c(O)c4c(c3O)CCCC4)c(F)cc2C12CC2
InChIInChI=1S/C18H17FN2O3/c19-12-7-11-13(20-17(24)18(11)5-6-18)8-14(12)21-15(22)9-3-1-2-4-10(9)16(21)23/h7-8,22-23H,1-6H2,(H,20,24)
InChIKeyWMANZAUMPWPSNR-UHFFFAOYSA-N
MW328.34 g/mol
LogP2.89
Rot. Bonds1

About 6-(1,3-dihydroxy-4,5,6,7-tetrahydroisoindol-2-yl)-5-fluorospiro[1H-indole-3,1'-cyclopropane]-2-one

6-(1,3-dihydroxy-4,5,6,7-tetrahydroisoindol-2-yl)-5-fluorospiro[1H-indole-3,1'-cyclopropane]-2-one (PubChem CID 54437926) has the molecular formula C18H17FN2O3 and a molecular weight of 328.34 g/mol. Its IUPAC name is 6-(1,3-dihydroxy-4,5,6,7-tetrahydroisoindol-2-yl)-5-fluorospiro[1H-indole-3,1'-cyclopropane]-2-one.

Molecular Properties

Compound Name6-(1,3-dihydroxy-4,5,6,7-tetrahydroisoindol-2-yl)-5-fluorospiro[1H-indole-3,1'-cyclopropane]-2-one
PubChem CID54437926
Molecular FormulaC18H17FN2O3
Molecular Weight328.34 g/mol
Exact Mass328.12
IUPAC Name6-(1,3-dihydroxy-4,5,6,7-tetrahydroisoindol-2-yl)-5-fluorospiro[1H-indole-3,1'-cyclopropane]-2-one
SMILESO=C1Nc2cc(-n3c(O)c4c(c3O)CCCC4)c(F)cc2C12CC2
InChIInChI=1S/C18H17FN2O3/c19-12-7-11-13(20-17(24)18(11)5-6-18)8-14(12)21-15(22)9-3-1-2-4-10(9)16(21)23/h7-8,22-23H,1-6H2,(H,20,24)
InChIKeyWMANZAUMPWPSNR-UHFFFAOYSA-N
XLogP2.89
TPSA74.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.34
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(1,3-dihydroxy-4,5,6,7-tetrahydroisoindol-2-yl)-5-fluorospiro[1H-indole-3,1'-cyclopropane]-2-one?
The IUPAC name of 6-(1,3-dihydroxy-4,5,6,7-tetrahydroisoindol-2-yl)-5-fluorospiro[1H-indole-3,1'-cyclopropane]-2-one (CID 54437926) is 6-(1,3-dihydroxy-4,5,6,7-tetrahydroisoindol-2-yl)-5-fluorospiro[1H-indole-3,1'-cyclopropane]-2-one.
What is the SMILES notation for 6-(1,3-dihydroxy-4,5,6,7-tetrahydroisoindol-2-yl)-5-fluorospiro[1H-indole-3,1'-cyclopropane]-2-one?
The canonical SMILES for 6-(1,3-dihydroxy-4,5,6,7-tetrahydroisoindol-2-yl)-5-fluorospiro[1H-indole-3,1'-cyclopropane]-2-one is O=C1Nc2cc(-n3c(O)c4c(c3O)CCCC4)c(F)cc2C12CC2.
What is the InChIKey of 6-(1,3-dihydroxy-4,5,6,7-tetrahydroisoindol-2-yl)-5-fluorospiro[1H-indole-3,1'-cyclopropane]-2-one?
The InChIKey is WMANZAUMPWPSNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O3/c19-12-7-11-13(20-17(24)18(11)5-6-18)8-14(12)21-15(22)9-3-1-2-4-10(9)16(21)23/h7-8,22-23H,1-6H2,(H,20,24).
What are the key properties of 6-(1,3-dihydroxy-4,5,6,7-tetrahydroisoindol-2-yl)-5-fluorospiro[1H-indole-3,1'-cyclopropane]-2-one?
6-(1,3-dihydroxy-4,5,6,7-tetrahydroisoindol-2-yl)-5-fluorospiro[1H-indole-3,1'-cyclopropane]-2-one has a molecular weight of 328.34 g/mol, XLogP of 2.89, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-dihydroxy-4,5,6,7-tetrahydroisoindol-2-yl)-5-fluorospiro[1H-indole-3,1'-cyclopropane]-2-one is sourced from PubChem (CID 54437926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).