(2S,5'R)-4-propylspiro[1,3-dihydroindene-2,3'-6-oxabicyclo[3.2.0]heptane]-4'-one

C17H20O2 — CID 138514731

IUPAC(2S,5'R)-4-propylspiro[1,3-dihydroindene-2,3'-6-oxabicyclo[3.2.0]heptane]-4'-one
SMILESCCCc1cccc2c1C[C@@]1(C2)CC2CO[C@H]2C1=O
InChIInChI=1S/C17H20O2/c1-2-4-11-5-3-6-12-7-17(9-14(11)12)8-13-10-19-15(13)16(17)18/h3,5-6,13,15H,2,4,7-10H2,1H3/t13?,15-,17-/m1/s1
InChIKeyRCNVDOUWUJZYSE-RJPUVWTNSA-N
MW256.34 g/mol
LogP2.71
Rot. Bonds2

About (2S,5'R)-4-propylspiro[1,3-dihydroindene-2,3'-6-oxabicyclo[3.2.0]heptane]-4'-one

(2S,5'R)-4-propylspiro[1,3-dihydroindene-2,3'-6-oxabicyclo[3.2.0]heptane]-4'-one (PubChem CID 138514731) has the molecular formula C17H20O2 and a molecular weight of 256.34 g/mol. Its IUPAC name is (2S,5'R)-4-propylspiro[1,3-dihydroindene-2,3'-6-oxabicyclo[3.2.0]heptane]-4'-one.

Molecular Properties

Compound Name(2S,5'R)-4-propylspiro[1,3-dihydroindene-2,3'-6-oxabicyclo[3.2.0]heptane]-4'-one
PubChem CID138514731
Molecular FormulaC17H20O2
Molecular Weight256.34 g/mol
Exact Mass256.15
IUPAC Name(2S,5'R)-4-propylspiro[1,3-dihydroindene-2,3'-6-oxabicyclo[3.2.0]heptane]-4'-one
SMILESCCCc1cccc2c1C[C@@]1(C2)CC2CO[C@H]2C1=O
InChIInChI=1S/C17H20O2/c1-2-4-11-5-3-6-12-7-17(9-14(11)12)8-13-10-19-15(13)16(17)18/h3,5-6,13,15H,2,4,7-10H2,1H3/t13?,15-,17-/m1/s1
InChIKeyRCNVDOUWUJZYSE-RJPUVWTNSA-N
XLogP2.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,5'R)-4-propylspiro[1,3-dihydroindene-2,3'-6-oxabicyclo[3.2.0]heptane]-4'-one?
The IUPAC name of (2S,5'R)-4-propylspiro[1,3-dihydroindene-2,3'-6-oxabicyclo[3.2.0]heptane]-4'-one (CID 138514731) is (2S,5'R)-4-propylspiro[1,3-dihydroindene-2,3'-6-oxabicyclo[3.2.0]heptane]-4'-one.
What is the SMILES notation for (2S,5'R)-4-propylspiro[1,3-dihydroindene-2,3'-6-oxabicyclo[3.2.0]heptane]-4'-one?
The canonical SMILES for (2S,5'R)-4-propylspiro[1,3-dihydroindene-2,3'-6-oxabicyclo[3.2.0]heptane]-4'-one is CCCc1cccc2c1C[C@@]1(C2)CC2CO[C@H]2C1=O.
What is the InChIKey of (2S,5'R)-4-propylspiro[1,3-dihydroindene-2,3'-6-oxabicyclo[3.2.0]heptane]-4'-one?
The InChIKey is RCNVDOUWUJZYSE-RJPUVWTNSA-N. The full InChI is InChI=1S/C17H20O2/c1-2-4-11-5-3-6-12-7-17(9-14(11)12)8-13-10-19-15(13)16(17)18/h3,5-6,13,15H,2,4,7-10H2,1H3/t13?,15-,17-/m1/s1.
What are the key properties of (2S,5'R)-4-propylspiro[1,3-dihydroindene-2,3'-6-oxabicyclo[3.2.0]heptane]-4'-one?
(2S,5'R)-4-propylspiro[1,3-dihydroindene-2,3'-6-oxabicyclo[3.2.0]heptane]-4'-one has a molecular weight of 256.34 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5'R)-4-propylspiro[1,3-dihydroindene-2,3'-6-oxabicyclo[3.2.0]heptane]-4'-one is sourced from PubChem (CID 138514731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).