6,7-dichloro-1'-hydroxy-2-methylspiro[2,3-dihydrochromene-4,3'-pyrrolidine]-2'-one

C13H13Cl2NO3 — CID 14986550

IUPAC6,7-dichloro-1'-hydroxy-2-methylspiro[2,3-dihydrochromene-4,3'-pyrrolidine]-2'-one
SMILESCC1CC2(CCN(O)C2=O)c2cc(Cl)c(Cl)cc2O1
InChIInChI=1S/C13H13Cl2NO3/c1-7-6-13(2-3-16(18)12(13)17)8-4-9(14)10(15)5-11(8)19-7/h4-5,7,18H,2-3,6H2,1H3
InChIKeyYXHQTSWQDKQMML-UHFFFAOYSA-N
MW302.16 g/mol
LogP3.02
Rot. Bonds

About 6,7-dichloro-1'-hydroxy-2-methylspiro[2,3-dihydrochromene-4,3'-pyrrolidine]-2'-one

6,7-dichloro-1'-hydroxy-2-methylspiro[2,3-dihydrochromene-4,3'-pyrrolidine]-2'-one (PubChem CID 14986550) has the molecular formula C13H13Cl2NO3 and a molecular weight of 302.16 g/mol. Its IUPAC name is 6,7-dichloro-1'-hydroxy-2-methylspiro[2,3-dihydrochromene-4,3'-pyrrolidine]-2'-one.

Molecular Properties

Compound Name6,7-dichloro-1'-hydroxy-2-methylspiro[2,3-dihydrochromene-4,3'-pyrrolidine]-2'-one
PubChem CID14986550
Molecular FormulaC13H13Cl2NO3
Molecular Weight302.16 g/mol
Exact Mass301.03
IUPAC Name6,7-dichloro-1'-hydroxy-2-methylspiro[2,3-dihydrochromene-4,3'-pyrrolidine]-2'-one
SMILESCC1CC2(CCN(O)C2=O)c2cc(Cl)c(Cl)cc2O1
InChIInChI=1S/C13H13Cl2NO3/c1-7-6-13(2-3-16(18)12(13)17)8-4-9(14)10(15)5-11(8)19-7/h4-5,7,18H,2-3,6H2,1H3
InChIKeyYXHQTSWQDKQMML-UHFFFAOYSA-N
XLogP3.02
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.16
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6,7-dichloro-1'-hydroxy-2-methylspiro[2,3-dihydrochromene-4,3'-pyrrolidine]-2'-one?
The IUPAC name of 6,7-dichloro-1'-hydroxy-2-methylspiro[2,3-dihydrochromene-4,3'-pyrrolidine]-2'-one (CID 14986550) is 6,7-dichloro-1'-hydroxy-2-methylspiro[2,3-dihydrochromene-4,3'-pyrrolidine]-2'-one.
What is the SMILES notation for 6,7-dichloro-1'-hydroxy-2-methylspiro[2,3-dihydrochromene-4,3'-pyrrolidine]-2'-one?
The canonical SMILES for 6,7-dichloro-1'-hydroxy-2-methylspiro[2,3-dihydrochromene-4,3'-pyrrolidine]-2'-one is CC1CC2(CCN(O)C2=O)c2cc(Cl)c(Cl)cc2O1.
What is the InChIKey of 6,7-dichloro-1'-hydroxy-2-methylspiro[2,3-dihydrochromene-4,3'-pyrrolidine]-2'-one?
The InChIKey is YXHQTSWQDKQMML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2NO3/c1-7-6-13(2-3-16(18)12(13)17)8-4-9(14)10(15)5-11(8)19-7/h4-5,7,18H,2-3,6H2,1H3.
What are the key properties of 6,7-dichloro-1'-hydroxy-2-methylspiro[2,3-dihydrochromene-4,3'-pyrrolidine]-2'-one?
6,7-dichloro-1'-hydroxy-2-methylspiro[2,3-dihydrochromene-4,3'-pyrrolidine]-2'-one has a molecular weight of 302.16 g/mol, XLogP of 3.02, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-1'-hydroxy-2-methylspiro[2,3-dihydrochromene-4,3'-pyrrolidine]-2'-one is sourced from PubChem (CID 14986550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).