1'-cyclopropyl-6-fluoro-2'-methylspiro[3H-chromene-2,4'-pyrrolidine]-4-one

C16H18FNO2 — CID 114672071

IUPAC1'-cyclopropyl-6-fluoro-2'-methylspiro[3H-chromene-2,4'-pyrrolidine]-4-one
SMILESCC1CC2(CC(=O)c3cc(F)ccc3O2)CN1C1CC1
InChIInChI=1S/C16H18FNO2/c1-10-7-16(9-18(10)12-3-4-12)8-14(19)13-6-11(17)2-5-15(13)20-16/h2,5-6,10,12H,3-4,7-9H2,1H3
InChIKeyIFJGKRXHSKJKDL-UHFFFAOYSA-N
MW275.32 g/mol
LogP2.79
Rot. Bonds1

About 1'-cyclopropyl-6-fluoro-2'-methylspiro[3H-chromene-2,4'-pyrrolidine]-4-one

1'-cyclopropyl-6-fluoro-2'-methylspiro[3H-chromene-2,4'-pyrrolidine]-4-one (PubChem CID 114672071) has the molecular formula C16H18FNO2 and a molecular weight of 275.32 g/mol. Its IUPAC name is 1'-cyclopropyl-6-fluoro-2'-methylspiro[3H-chromene-2,4'-pyrrolidine]-4-one.

Molecular Properties

Compound Name1'-cyclopropyl-6-fluoro-2'-methylspiro[3H-chromene-2,4'-pyrrolidine]-4-one
PubChem CID114672071
Molecular FormulaC16H18FNO2
Molecular Weight275.32 g/mol
Exact Mass275.13
IUPAC Name1'-cyclopropyl-6-fluoro-2'-methylspiro[3H-chromene-2,4'-pyrrolidine]-4-one
SMILESCC1CC2(CC(=O)c3cc(F)ccc3O2)CN1C1CC1
InChIInChI=1S/C16H18FNO2/c1-10-7-16(9-18(10)12-3-4-12)8-14(19)13-6-11(17)2-5-15(13)20-16/h2,5-6,10,12H,3-4,7-9H2,1H3
InChIKeyIFJGKRXHSKJKDL-UHFFFAOYSA-N
XLogP2.79
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-fluoro-1',1'-dimethylspiro[3H-chromene-2,4'-cyclohexane]-4-one
CID 114672216
6-fluoro-3'-methylspiro[3H-chromene-2,1'-cyclopentane]-4-one
CID 114672193
4'-tert-butyl-6-fluorospiro[3H-chromene-2,1'-cyclohexane]-4-one
CID 114672239
6-fluoro-3'-methoxyspiro[3H-chromene-2,1'-cyclobutane]-4-one
CID 106825069
1'-cyclopropyl-7-fluoro-N,2'-dimethylspiro[3,4-dihydrochromene-2,4'-pyrrolidine]-4-amine
CID 114713633
6-chloro-1',2'-dimethylspiro[3H-chromene-2,4'-pyrrolidine]-4-one
CID 114673017
6-fluorospiro[3H-chromene-2,3'-azetidine]-4-one
CID 121207087
6-fluorospiro[3H-chromene-2,4'-piperidine]-4-one;hydrochloride
CID 68663303
2-cyclopropyl-6-fluoro-2-methyl-3H-chromen-4-one
CID 114672241
6-fluoro-2'-propan-2-ylspiro[3H-chromene-2,4'-oxane]-4-one
CID 114672109
7-fluoro-3'-methylspiro[3H-chromene-2,1'-cyclopentane]-4-one
CID 114674789
1'-benzoyl-6-fluorospiro[3H-chromene-2,4'-piperidine]-4-one
CID 125498789

Frequently Asked Questions

What is the IUPAC name of 1'-cyclopropyl-6-fluoro-2'-methylspiro[3H-chromene-2,4'-pyrrolidine]-4-one?
The IUPAC name of 1'-cyclopropyl-6-fluoro-2'-methylspiro[3H-chromene-2,4'-pyrrolidine]-4-one (CID 114672071) is 1'-cyclopropyl-6-fluoro-2'-methylspiro[3H-chromene-2,4'-pyrrolidine]-4-one.
What is the SMILES notation for 1'-cyclopropyl-6-fluoro-2'-methylspiro[3H-chromene-2,4'-pyrrolidine]-4-one?
The canonical SMILES for 1'-cyclopropyl-6-fluoro-2'-methylspiro[3H-chromene-2,4'-pyrrolidine]-4-one is CC1CC2(CC(=O)c3cc(F)ccc3O2)CN1C1CC1.
What is the InChIKey of 1'-cyclopropyl-6-fluoro-2'-methylspiro[3H-chromene-2,4'-pyrrolidine]-4-one?
The InChIKey is IFJGKRXHSKJKDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO2/c1-10-7-16(9-18(10)12-3-4-12)8-14(19)13-6-11(17)2-5-15(13)20-16/h2,5-6,10,12H,3-4,7-9H2,1H3.
What are the key properties of 1'-cyclopropyl-6-fluoro-2'-methylspiro[3H-chromene-2,4'-pyrrolidine]-4-one?
1'-cyclopropyl-6-fluoro-2'-methylspiro[3H-chromene-2,4'-pyrrolidine]-4-one has a molecular weight of 275.32 g/mol, XLogP of 2.79, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-cyclopropyl-6-fluoro-2'-methylspiro[3H-chromene-2,4'-pyrrolidine]-4-one is sourced from PubChem (CID 114672071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).