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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Related Compounds

(3R,4R)-3-(1,4-Dimethoxy-naphthalen-2-ylmethoxy)-4-{4-[3-(2-methoxy-benzyloxy)-propoxy]-phenyl}-piperidine
CID 10483146
N-[2-(2,3-Dihydro-1H-benzo[f]chromen-10-yl)-ethyl]-acetamide
CID 15340633
N-(9-methoxy-2,3-dihydro-1H-benzo[f]chromen-2-yl)acetamide
CID 9881916
N-[(9-methoxy-2,3-dihydro-1H-benzo[f]chromen-2-yl)methyl]acetamide
CID 18177435
2-Aminoethyl-5-(4''-methoxy-1''-naphthethyl)tetrahydrofuran
CID 44590819
(3aS,9bS)-3a-methyl-8-phenyl-2,3,4,9b-tetrahydro-1H-chromeno[3,4-b]pyrrole
CID 153287539
2-methyl-3-(naphthalen-1-yloxy)-N-(tetrahydrofuran-2-ylmethyl)propan-1-amine
CID 3794220
(2,3-Dihydro-1H-benzo[f]chromen-2-yl)-dipropyl-amine
CID 10265863
(3R,4R)-4-{4-[3-(2-Methoxy-benzyloxy)-propoxy]-phenyl}-3-(naphthalen-2-ylmethoxy)-piperidine
CID 44279009
[3-(2-Methoxy-phenyl)-3-(naphthalen-1-yloxy)-propyl]-methyl-amine
CID 44358977
Methyl-[3-(naphthalen-1-yloxy)-3-m-tolyl-propyl]-amine
CID 44358978
((3R,4R)-4-(2,3-dimethylphenoxy)-3,4-dihydro-1H-isochromen-3-yl)-N-methylmethanamine
CID 44587450

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).