1'-propylspiro[2,4-dihydrochromene-3,2'-pyrrolidine]-5-ol

C15H21NO2 — CID 10490728

IUPAC1'-propylspiro[2,4-dihydrochromene-3,2'-pyrrolidine]-5-ol
SMILESCCCN1CCCC12COc1cccc(O)c1C2
InChIInChI=1S/C15H21NO2/c1-2-8-16-9-4-7-15(16)10-12-13(17)5-3-6-14(12)18-11-15/h3,5-6,17H,2,4,7-11H2,1H3
InChIKeySHUXJMKMECCNTK-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.57
Rot. Bonds2

About 1'-propylspiro[2,4-dihydrochromene-3,2'-pyrrolidine]-5-ol

1'-propylspiro[2,4-dihydrochromene-3,2'-pyrrolidine]-5-ol (PubChem CID 10490728) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 1'-propylspiro[2,4-dihydrochromene-3,2'-pyrrolidine]-5-ol.

Molecular Properties

Compound Name1'-propylspiro[2,4-dihydrochromene-3,2'-pyrrolidine]-5-ol
PubChem CID10490728
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name1'-propylspiro[2,4-dihydrochromene-3,2'-pyrrolidine]-5-ol
SMILESCCCN1CCCC12COc1cccc(O)c1C2
InChIInChI=1S/C15H21NO2/c1-2-8-16-9-4-7-15(16)10-12-13(17)5-3-6-14(12)18-11-15/h3,5-6,17H,2,4,7-11H2,1H3
InChIKeySHUXJMKMECCNTK-UHFFFAOYSA-N
XLogP2.57
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1'-propylspiro[2,4-dihydrochromene-3,2'-pyrrolidine]-5-ol?
The IUPAC name of 1'-propylspiro[2,4-dihydrochromene-3,2'-pyrrolidine]-5-ol (CID 10490728) is 1'-propylspiro[2,4-dihydrochromene-3,2'-pyrrolidine]-5-ol.
What is the SMILES notation for 1'-propylspiro[2,4-dihydrochromene-3,2'-pyrrolidine]-5-ol?
The canonical SMILES for 1'-propylspiro[2,4-dihydrochromene-3,2'-pyrrolidine]-5-ol is CCCN1CCCC12COc1cccc(O)c1C2.
What is the InChIKey of 1'-propylspiro[2,4-dihydrochromene-3,2'-pyrrolidine]-5-ol?
The InChIKey is SHUXJMKMECCNTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-2-8-16-9-4-7-15(16)10-12-13(17)5-3-6-14(12)18-11-15/h3,5-6,17H,2,4,7-11H2,1H3.
What are the key properties of 1'-propylspiro[2,4-dihydrochromene-3,2'-pyrrolidine]-5-ol?
1'-propylspiro[2,4-dihydrochromene-3,2'-pyrrolidine]-5-ol has a molecular weight of 247.34 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-propylspiro[2,4-dihydrochromene-3,2'-pyrrolidine]-5-ol is sourced from PubChem (CID 10490728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).