(3S,3'S)-N-cyclopentyl-6-fluoro-1'-methyl-4-oxospiro[2H-chromene-3,4'-pyrrolidine]-3'-carboxamide

C19H23FN2O3 — CID 92609209

IUPAC(3S,3'S)-N-cyclopentyl-6-fluoro-1'-methyl-4-oxospiro[2H-chromene-3,4'-pyrrolidine]-3'-carboxamide
SMILESCN1C[C@@H](C(=O)NC2CCCC2)[C@@]2(COc3ccc(F)cc3C2=O)C1
InChIInChI=1S/C19H23FN2O3/c1-22-9-15(18(24)21-13-4-2-3-5-13)19(10-22)11-25-16-7-6-12(20)8-14(16)17(19)23/h6-8,13,15H,2-5,9-11H2,1H3,(H,21,24)/t15-,19-/m0/s1
InChIKeyWRPLKLUQTJJPHJ-KXBFYZLASA-N
MW346.40 g/mol
LogP2.01
Rot. Bonds2

About (3S,3'S)-N-cyclopentyl-6-fluoro-1'-methyl-4-oxospiro[2H-chromene-3,4'-pyrrolidine]-3'-carboxamide

(3S,3'S)-N-cyclopentyl-6-fluoro-1'-methyl-4-oxospiro[2H-chromene-3,4'-pyrrolidine]-3'-carboxamide (PubChem CID 92609209) has the molecular formula C19H23FN2O3 and a molecular weight of 346.40 g/mol. Its IUPAC name is (3S,3'S)-N-cyclopentyl-6-fluoro-1'-methyl-4-oxospiro[2H-chromene-3,4'-pyrrolidine]-3'-carboxamide.

Molecular Properties

Compound Name(3S,3'S)-N-cyclopentyl-6-fluoro-1'-methyl-4-oxospiro[2H-chromene-3,4'-pyrrolidine]-3'-carboxamide
PubChem CID92609209
Molecular FormulaC19H23FN2O3
Molecular Weight346.40 g/mol
Exact Mass346.17
IUPAC Name(3S,3'S)-N-cyclopentyl-6-fluoro-1'-methyl-4-oxospiro[2H-chromene-3,4'-pyrrolidine]-3'-carboxamide
SMILESCN1C[C@@H](C(=O)NC2CCCC2)[C@@]2(COc3ccc(F)cc3C2=O)C1
InChIInChI=1S/C19H23FN2O3/c1-22-9-15(18(24)21-13-4-2-3-5-13)19(10-22)11-25-16-7-6-12(20)8-14(16)17(19)23/h6-8,13,15H,2-5,9-11H2,1H3,(H,21,24)/t15-,19-/m0/s1
InChIKeyWRPLKLUQTJJPHJ-KXBFYZLASA-N
XLogP2.01
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.40
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S,3'S)-N-cyclopentyl-6-fluoro-1'-methyl-4-oxospiro[2H-chromene-3,4'-pyrrolidine]-3'-carboxamide?
The IUPAC name of (3S,3'S)-N-cyclopentyl-6-fluoro-1'-methyl-4-oxospiro[2H-chromene-3,4'-pyrrolidine]-3'-carboxamide (CID 92609209) is (3S,3'S)-N-cyclopentyl-6-fluoro-1'-methyl-4-oxospiro[2H-chromene-3,4'-pyrrolidine]-3'-carboxamide.
What is the SMILES notation for (3S,3'S)-N-cyclopentyl-6-fluoro-1'-methyl-4-oxospiro[2H-chromene-3,4'-pyrrolidine]-3'-carboxamide?
The canonical SMILES for (3S,3'S)-N-cyclopentyl-6-fluoro-1'-methyl-4-oxospiro[2H-chromene-3,4'-pyrrolidine]-3'-carboxamide is CN1C[C@@H](C(=O)NC2CCCC2)[C@@]2(COc3ccc(F)cc3C2=O)C1.
What is the InChIKey of (3S,3'S)-N-cyclopentyl-6-fluoro-1'-methyl-4-oxospiro[2H-chromene-3,4'-pyrrolidine]-3'-carboxamide?
The InChIKey is WRPLKLUQTJJPHJ-KXBFYZLASA-N. The full InChI is InChI=1S/C19H23FN2O3/c1-22-9-15(18(24)21-13-4-2-3-5-13)19(10-22)11-25-16-7-6-12(20)8-14(16)17(19)23/h6-8,13,15H,2-5,9-11H2,1H3,(H,21,24)/t15-,19-/m0/s1.
What are the key properties of (3S,3'S)-N-cyclopentyl-6-fluoro-1'-methyl-4-oxospiro[2H-chromene-3,4'-pyrrolidine]-3'-carboxamide?
(3S,3'S)-N-cyclopentyl-6-fluoro-1'-methyl-4-oxospiro[2H-chromene-3,4'-pyrrolidine]-3'-carboxamide has a molecular weight of 346.40 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,3'S)-N-cyclopentyl-6-fluoro-1'-methyl-4-oxospiro[2H-chromene-3,4'-pyrrolidine]-3'-carboxamide is sourced from PubChem (CID 92609209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).