6-ethoxy-4-methoxyspiro[3,4-dihydrochromene-2,3'-pyrrolidine]

C15H21NO3 — CID 82047218

IUPAC6-ethoxy-4-methoxyspiro[3,4-dihydrochromene-2,3'-pyrrolidine]
SMILESCCOc1ccc2c(c1)C(OC)CC1(CCNC1)O2
InChIInChI=1S/C15H21NO3/c1-3-18-11-4-5-13-12(8-11)14(17-2)9-15(19-13)6-7-16-10-15/h4-5,8,14,16H,3,6-7,9-10H2,1-2H3
InChIKeyKIFRPBCAHVQFFW-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.29
Rot. Bonds3

About 6-ethoxy-4-methoxyspiro[3,4-dihydrochromene-2,3'-pyrrolidine]

6-ethoxy-4-methoxyspiro[3,4-dihydrochromene-2,3'-pyrrolidine] (PubChem CID 82047218) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 6-ethoxy-4-methoxyspiro[3,4-dihydrochromene-2,3'-pyrrolidine].

Molecular Properties

Compound Name6-ethoxy-4-methoxyspiro[3,4-dihydrochromene-2,3'-pyrrolidine]
PubChem CID82047218
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name6-ethoxy-4-methoxyspiro[3,4-dihydrochromene-2,3'-pyrrolidine]
SMILESCCOc1ccc2c(c1)C(OC)CC1(CCNC1)O2
InChIInChI=1S/C15H21NO3/c1-3-18-11-4-5-13-12(8-11)14(17-2)9-15(19-13)6-7-16-10-15/h4-5,8,14,16H,3,6-7,9-10H2,1-2H3
InChIKeyKIFRPBCAHVQFFW-UHFFFAOYSA-N
XLogP2.29
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-4-methoxyspiro[3,4-dihydrochromene-2,3'-pyrrolidine]?
The IUPAC name of 6-ethoxy-4-methoxyspiro[3,4-dihydrochromene-2,3'-pyrrolidine] (CID 82047218) is 6-ethoxy-4-methoxyspiro[3,4-dihydrochromene-2,3'-pyrrolidine].
What is the SMILES notation for 6-ethoxy-4-methoxyspiro[3,4-dihydrochromene-2,3'-pyrrolidine]?
The canonical SMILES for 6-ethoxy-4-methoxyspiro[3,4-dihydrochromene-2,3'-pyrrolidine] is CCOc1ccc2c(c1)C(OC)CC1(CCNC1)O2.
What is the InChIKey of 6-ethoxy-4-methoxyspiro[3,4-dihydrochromene-2,3'-pyrrolidine]?
The InChIKey is KIFRPBCAHVQFFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-3-18-11-4-5-13-12(8-11)14(17-2)9-15(19-13)6-7-16-10-15/h4-5,8,14,16H,3,6-7,9-10H2,1-2H3.
What are the key properties of 6-ethoxy-4-methoxyspiro[3,4-dihydrochromene-2,3'-pyrrolidine]?
6-ethoxy-4-methoxyspiro[3,4-dihydrochromene-2,3'-pyrrolidine] has a molecular weight of 263.34 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-4-methoxyspiro[3,4-dihydrochromene-2,3'-pyrrolidine] is sourced from PubChem (CID 82047218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).