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

C16H23NO2 — CID 10635163

IUPAC5-methoxy-1'-propylspiro[2,4-dihydrochromene-3,2'-pyrrolidine]
SMILESCCCN1CCCC12COc1cccc(OC)c1C2
InChIInChI=1S/C16H23NO2/c1-3-9-17-10-5-8-16(17)11-13-14(18-2)6-4-7-15(13)19-12-16/h4,6-7H,3,5,8-12H2,1-2H3
InChIKeyVNEQQDVYANFDGN-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.87
Rot. Bonds3

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

5-methoxy-1'-propylspiro[2,4-dihydrochromene-3,2'-pyrrolidine] (PubChem CID 10635163) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 5-methoxy-1'-propylspiro[2,4-dihydrochromene-3,2'-pyrrolidine].

Molecular Properties

Compound Name5-methoxy-1'-propylspiro[2,4-dihydrochromene-3,2'-pyrrolidine]
PubChem CID10635163
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name5-methoxy-1'-propylspiro[2,4-dihydrochromene-3,2'-pyrrolidine]
SMILESCCCN1CCCC12COc1cccc(OC)c1C2
InChIInChI=1S/C16H23NO2/c1-3-9-17-10-5-8-16(17)11-13-14(18-2)6-4-7-15(13)19-12-16/h4,6-7H,3,5,8-12H2,1-2H3
InChIKeyVNEQQDVYANFDGN-UHFFFAOYSA-N
XLogP2.87
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1'-propylspiro[2,4-dihydrochromene-3,2'-pyrrolidine]?
The IUPAC name of 5-methoxy-1'-propylspiro[2,4-dihydrochromene-3,2'-pyrrolidine] (CID 10635163) is 5-methoxy-1'-propylspiro[2,4-dihydrochromene-3,2'-pyrrolidine].
What is the SMILES notation for 5-methoxy-1'-propylspiro[2,4-dihydrochromene-3,2'-pyrrolidine]?
The canonical SMILES for 5-methoxy-1'-propylspiro[2,4-dihydrochromene-3,2'-pyrrolidine] is CCCN1CCCC12COc1cccc(OC)c1C2.
What is the InChIKey of 5-methoxy-1'-propylspiro[2,4-dihydrochromene-3,2'-pyrrolidine]?
The InChIKey is VNEQQDVYANFDGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-3-9-17-10-5-8-16(17)11-13-14(18-2)6-4-7-15(13)19-12-16/h4,6-7H,3,5,8-12H2,1-2H3.
What are the key properties of 5-methoxy-1'-propylspiro[2,4-dihydrochromene-3,2'-pyrrolidine]?
5-methoxy-1'-propylspiro[2,4-dihydrochromene-3,2'-pyrrolidine] has a molecular weight of 261.37 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1'-propylspiro[2,4-dihydrochromene-3,2'-pyrrolidine] is sourced from PubChem (CID 10635163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).