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

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

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Related Compounds

5-methoxyspiro[3,4-dihydro-2H-chromene-3,2''-(tetrahydro-1''H-pyrrole)]
CID 15222791
(4aR,10bR)-2,3,4,4a,5,10b-hexahydrochromeno[4,3-b][1,4]oxazin-9-ol
CID 15293841
N-[(6-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]acetamide
CID 15391789
n-[2-(6-Methoxy-3,4-dihydro-2h-3-chromenyl)ethyl]acetamide
CID 18177433
N-methyl((3R,4S)-4-(o-tolyloxy)-3,4-dihydro-2H-chromen-3-yl)methanamine
CID 44587447
N-methyl((3S,4S)-4-(o-tolyloxy)-3,4-dihydro-2H-chromen-3-yl)methanamine
CID 44587483
((3R,4R)-4-(2-ethylphenoxy)-3,4-dihydro-2H-chromen-3-yl)-N-methylmethanamine
CID 44587485
((3S,4S)-4-(2-ethylphenoxy)-3,4-dihydro-2H-chromen-3-yl)-N-methylmethanamine
CID 44587486
N-methyl((3R,4R)-4-(o-tolyloxy)chroman-3-yl)methanamine
CID 44593687
N-methyl((3S,4R)-4-(o-tolyloxy)chroman-3-yl)methanamine
CID 44593689
(3aS,9bS)-8-methoxy-3a-methyl-2,3,4,9b-tetrahydro-1H-chromeno[3,4-b]pyrrole
CID 155557042
2-(2,5-Dimethoxyphenyl)-3-methylmorpholine
CID 215993

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).