5-ethoxyspiro[3H-chromene-2,3'-pyrrolidine]-4-one

C14H17NO3 — CID 82045708

IUPAC5-ethoxyspiro[3H-chromene-2,3'-pyrrolidine]-4-one
SMILESCCOc1cccc2c1C(=O)CC1(CCNC1)O2
InChIInChI=1S/C14H17NO3/c1-2-17-11-4-3-5-12-13(11)10(16)8-14(18-12)6-7-15-9-14/h3-5,15H,2,6-9H2,1H3
InChIKeyBCDNRINUPNCDDQ-UHFFFAOYSA-N
MW247.29 g/mol
LogP1.78
Rot. Bonds2

About 5-ethoxyspiro[3H-chromene-2,3'-pyrrolidine]-4-one

5-ethoxyspiro[3H-chromene-2,3'-pyrrolidine]-4-one (PubChem CID 82045708) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 5-ethoxyspiro[3H-chromene-2,3'-pyrrolidine]-4-one.

Molecular Properties

Compound Name5-ethoxyspiro[3H-chromene-2,3'-pyrrolidine]-4-one
PubChem CID82045708
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name5-ethoxyspiro[3H-chromene-2,3'-pyrrolidine]-4-one
SMILESCCOc1cccc2c1C(=O)CC1(CCNC1)O2
InChIInChI=1S/C14H17NO3/c1-2-17-11-4-3-5-12-13(11)10(16)8-14(18-12)6-7-15-9-14/h3-5,15H,2,6-9H2,1H3
InChIKeyBCDNRINUPNCDDQ-UHFFFAOYSA-N
XLogP1.78
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-phenylmethoxyspiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 82045706
6,7-dimethylspiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 82045683
4-oxospiro[3H-chromene-2,4'-piperidine]-5-carbonitrile;hydrochloride
CID 68663344
spiro[2H-benzo[f]chromene-3,4'-piperidine]-1-one
CID 16643166
5-ethoxy-4-methylspiro[3H-chromene-2,1'-cyclopentane]-4-amine
CID 82194514
5-ethylspiro[3H-1-benzofuran-2,3'-pyrrolidine]
CID 170003759
1'-(2-ethoxyphenyl)sulfonylspiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 90586016
5-methoxy-2,2-dimethyl-3H-chromen-4-one
CID 11790374
N,N-diethyl-4-[5-(methoxymethoxy)spiro[chromene-2,3'-pyrrolidine]-4-yl]benzamide
CID 66696321
spiro[3H-chromene-2,4'-azepane]-4-one
CID 59312111
2'-(ethoxymethylidene)spiro[3H-chromene-2,4'-piperidine]-4-one;hydrochloride
CID 67465718
6-ethoxy-4-methoxyspiro[3,4-dihydrochromene-2,3'-pyrrolidine]
CID 82047218

Frequently Asked Questions

What is the IUPAC name of 5-ethoxyspiro[3H-chromene-2,3'-pyrrolidine]-4-one?
The IUPAC name of 5-ethoxyspiro[3H-chromene-2,3'-pyrrolidine]-4-one (CID 82045708) is 5-ethoxyspiro[3H-chromene-2,3'-pyrrolidine]-4-one.
What is the SMILES notation for 5-ethoxyspiro[3H-chromene-2,3'-pyrrolidine]-4-one?
The canonical SMILES for 5-ethoxyspiro[3H-chromene-2,3'-pyrrolidine]-4-one is CCOc1cccc2c1C(=O)CC1(CCNC1)O2.
What is the InChIKey of 5-ethoxyspiro[3H-chromene-2,3'-pyrrolidine]-4-one?
The InChIKey is BCDNRINUPNCDDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-2-17-11-4-3-5-12-13(11)10(16)8-14(18-12)6-7-15-9-14/h3-5,15H,2,6-9H2,1H3.
What are the key properties of 5-ethoxyspiro[3H-chromene-2,3'-pyrrolidine]-4-one?
5-ethoxyspiro[3H-chromene-2,3'-pyrrolidine]-4-one has a molecular weight of 247.29 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxyspiro[3H-chromene-2,3'-pyrrolidine]-4-one is sourced from PubChem (CID 82045708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).