5'-ethylspiro[1,3-dihydroisochromene-4,4'-pyrrolidine]-2'-one

C14H17NO2 — CID 107150400

IUPAC5'-ethylspiro[1,3-dihydroisochromene-4,4'-pyrrolidine]-2'-one
SMILESCCC1NC(=O)CC12COCc1ccccc12
InChIInChI=1S/C14H17NO2/c1-2-12-14(7-13(16)15-12)9-17-8-10-5-3-4-6-11(10)14/h3-6,12H,2,7-9H2,1H3,(H,15,16)
InChIKeyGFUQRDQVVYGDRC-UHFFFAOYSA-N
MW231.29 g/mol
LogP1.75
Rot. Bonds1

About 5'-ethylspiro[1,3-dihydroisochromene-4,4'-pyrrolidine]-2'-one

5'-ethylspiro[1,3-dihydroisochromene-4,4'-pyrrolidine]-2'-one (PubChem CID 107150400) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is 5'-ethylspiro[1,3-dihydroisochromene-4,4'-pyrrolidine]-2'-one.

Molecular Properties

Compound Name5'-ethylspiro[1,3-dihydroisochromene-4,4'-pyrrolidine]-2'-one
PubChem CID107150400
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Name5'-ethylspiro[1,3-dihydroisochromene-4,4'-pyrrolidine]-2'-one
SMILESCCC1NC(=O)CC12COCc1ccccc12
InChIInChI=1S/C14H17NO2/c1-2-12-14(7-13(16)15-12)9-17-8-10-5-3-4-6-11(10)14/h3-6,12H,2,7-9H2,1H3,(H,15,16)
InChIKeyGFUQRDQVVYGDRC-UHFFFAOYSA-N
XLogP1.75
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5'-ethyl-1,1-dimethylspiro[2,3-dihydronaphthalene-4,4'-pyrrolidine]-2'-one
CID 66107860
N-(spiro[1,3-dihydroisochromene-4,2'-cyclopropane]-1'-ylmethyl)propan-2-amine
CID 107150183
5-ethyl-4-phenyl-4-propan-2-ylpyrrolidin-2-one
CID 66109160
5-ethyl-4-methyl-4-(2-phenylethyl)pyrrolidin-2-one
CID 66108510
4-(propylamino)-1,3-dihydroisochromene-4-carboxylic acid
CID 107149818
2-[4-(1-aminoethyl)-1,3-dihydroisochromen-4-yl]ethanol
CID 107150396
2'-sulfanylidenespiro[1,3-dihydroisochromene-4,5'-imidazolidine]-4'-one
CID 107150443
4'-amino-1'-cyclopropylspiro[1,3-dihydroisochromene-4,5'-imidazole]-2'-one
CID 107150426
5-ethyl-6-azaspiro[3.4]octan-7-one
CID 81251758
2'-(2-methylpropylimino)spiro[1,3-dihydroisochromene-4,5'-imidazolidine]-4'-one
CID 136703807
5'-methylspiro[2,3-dihydrochromene-4,4'-pyrrolidine]-2'-one
CID 66106756
2-(2',5'-dioxospiro[1,3-dihydroisochromene-4,4'-imidazolidine]-1'-yl)acetic acid
CID 107150042

Frequently Asked Questions

What is the IUPAC name of 5'-ethylspiro[1,3-dihydroisochromene-4,4'-pyrrolidine]-2'-one?
The IUPAC name of 5'-ethylspiro[1,3-dihydroisochromene-4,4'-pyrrolidine]-2'-one (CID 107150400) is 5'-ethylspiro[1,3-dihydroisochromene-4,4'-pyrrolidine]-2'-one.
What is the SMILES notation for 5'-ethylspiro[1,3-dihydroisochromene-4,4'-pyrrolidine]-2'-one?
The canonical SMILES for 5'-ethylspiro[1,3-dihydroisochromene-4,4'-pyrrolidine]-2'-one is CCC1NC(=O)CC12COCc1ccccc12.
What is the InChIKey of 5'-ethylspiro[1,3-dihydroisochromene-4,4'-pyrrolidine]-2'-one?
The InChIKey is GFUQRDQVVYGDRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-2-12-14(7-13(16)15-12)9-17-8-10-5-3-4-6-11(10)14/h3-6,12H,2,7-9H2,1H3,(H,15,16).
What are the key properties of 5'-ethylspiro[1,3-dihydroisochromene-4,4'-pyrrolidine]-2'-one?
5'-ethylspiro[1,3-dihydroisochromene-4,4'-pyrrolidine]-2'-one has a molecular weight of 231.29 g/mol, XLogP of 1.75, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5'-ethylspiro[1,3-dihydroisochromene-4,4'-pyrrolidine]-2'-one is sourced from PubChem (CID 107150400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).