5-methoxyspiro[2,4-dihydrochromene-3,2'-pyrrolidine]

C13H17NO2 — CID 15222791

IUPAC5-methoxyspiro[2,4-dihydrochromene-3,2'-pyrrolidine]
SMILESCOc1cccc2c1CC1(CCCN1)CO2
InChIInChI=1S/C13H17NO2/c1-15-11-4-2-5-12-10(11)8-13(9-16-12)6-3-7-14-13/h2,4-5,14H,3,6-9H2,1H3
InChIKeyKUXGHNDAHPGZBD-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.75
Rot. Bonds1

About 5-methoxyspiro[2,4-dihydrochromene-3,2'-pyrrolidine]

5-methoxyspiro[2,4-dihydrochromene-3,2'-pyrrolidine] (PubChem CID 15222791) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 5-methoxyspiro[2,4-dihydrochromene-3,2'-pyrrolidine].

Molecular Properties

Compound Name5-methoxyspiro[2,4-dihydrochromene-3,2'-pyrrolidine]
PubChem CID15222791
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name5-methoxyspiro[2,4-dihydrochromene-3,2'-pyrrolidine]
SMILESCOc1cccc2c1CC1(CCCN1)CO2
InChIInChI=1S/C13H17NO2/c1-15-11-4-2-5-12-10(11)8-13(9-16-12)6-3-7-14-13/h2,4-5,14H,3,6-9H2,1H3
InChIKeyKUXGHNDAHPGZBD-UHFFFAOYSA-N
XLogP1.75
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methoxyspiro[2,4-dihydrochromene-3,2'-pyrrolidine]?
The IUPAC name of 5-methoxyspiro[2,4-dihydrochromene-3,2'-pyrrolidine] (CID 15222791) is 5-methoxyspiro[2,4-dihydrochromene-3,2'-pyrrolidine].
What is the SMILES notation for 5-methoxyspiro[2,4-dihydrochromene-3,2'-pyrrolidine]?
The canonical SMILES for 5-methoxyspiro[2,4-dihydrochromene-3,2'-pyrrolidine] is COc1cccc2c1CC1(CCCN1)CO2.
What is the InChIKey of 5-methoxyspiro[2,4-dihydrochromene-3,2'-pyrrolidine]?
The InChIKey is KUXGHNDAHPGZBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-15-11-4-2-5-12-10(11)8-13(9-16-12)6-3-7-14-13/h2,4-5,14H,3,6-9H2,1H3.
What are the key properties of 5-methoxyspiro[2,4-dihydrochromene-3,2'-pyrrolidine]?
5-methoxyspiro[2,4-dihydrochromene-3,2'-pyrrolidine] has a molecular weight of 219.28 g/mol, XLogP of 1.75, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxyspiro[2,4-dihydrochromene-3,2'-pyrrolidine] is sourced from PubChem (CID 15222791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).