1-ethoxyspiro[1,2-dihydrobenzo[f]chromene-3,3'-pyrrolidine]

C18H21NO2 — CID 82047282

IUPAC1-ethoxyspiro[1,2-dihydrobenzo[f]chromene-3,3'-pyrrolidine]
SMILESCCOC1CC2(CCNC2)Oc2ccc3ccccc3c21
InChIInChI=1S/C18H21NO2/c1-2-20-16-11-18(9-10-19-12-18)21-15-8-7-13-5-3-4-6-14(13)17(15)16/h3-8,16,19H,2,9-12H2,1H3
InChIKeyYDCAFMSBJVCGSQ-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.43
Rot. Bonds2

About 1-ethoxyspiro[1,2-dihydrobenzo[f]chromene-3,3'-pyrrolidine]

1-ethoxyspiro[1,2-dihydrobenzo[f]chromene-3,3'-pyrrolidine] (PubChem CID 82047282) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 1-ethoxyspiro[1,2-dihydrobenzo[f]chromene-3,3'-pyrrolidine].

Molecular Properties

Compound Name1-ethoxyspiro[1,2-dihydrobenzo[f]chromene-3,3'-pyrrolidine]
PubChem CID82047282
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name1-ethoxyspiro[1,2-dihydrobenzo[f]chromene-3,3'-pyrrolidine]
SMILESCCOC1CC2(CCNC2)Oc2ccc3ccccc3c21
InChIInChI=1S/C18H21NO2/c1-2-20-16-11-18(9-10-19-12-18)21-15-8-7-13-5-3-4-6-14(13)17(15)16/h3-8,16,19H,2,9-12H2,1H3
InChIKeyYDCAFMSBJVCGSQ-UHFFFAOYSA-N
XLogP3.43
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethoxyspiro[1,2-dihydrobenzo[f]chromene-3,3'-pyrrolidine]?
The IUPAC name of 1-ethoxyspiro[1,2-dihydrobenzo[f]chromene-3,3'-pyrrolidine] (CID 82047282) is 1-ethoxyspiro[1,2-dihydrobenzo[f]chromene-3,3'-pyrrolidine].
What is the SMILES notation for 1-ethoxyspiro[1,2-dihydrobenzo[f]chromene-3,3'-pyrrolidine]?
The canonical SMILES for 1-ethoxyspiro[1,2-dihydrobenzo[f]chromene-3,3'-pyrrolidine] is CCOC1CC2(CCNC2)Oc2ccc3ccccc3c21.
What is the InChIKey of 1-ethoxyspiro[1,2-dihydrobenzo[f]chromene-3,3'-pyrrolidine]?
The InChIKey is YDCAFMSBJVCGSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-2-20-16-11-18(9-10-19-12-18)21-15-8-7-13-5-3-4-6-14(13)17(15)16/h3-8,16,19H,2,9-12H2,1H3.
What are the key properties of 1-ethoxyspiro[1,2-dihydrobenzo[f]chromene-3,3'-pyrrolidine]?
1-ethoxyspiro[1,2-dihydrobenzo[f]chromene-3,3'-pyrrolidine] has a molecular weight of 283.37 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxyspiro[1,2-dihydrobenzo[f]chromene-3,3'-pyrrolidine] is sourced from PubChem (CID 82047282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).