6,8-dichlorospiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-ol

C12H13Cl2NO2 — CID 82045909

IUPAC6,8-dichlorospiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-ol
SMILESOC1CC2(CCNC2)Oc2c(Cl)cc(Cl)cc21
InChIInChI=1S/C12H13Cl2NO2/c13-7-3-8-10(16)5-12(1-2-15-6-12)17-11(8)9(14)4-7/h3-4,10,15-16H,1-2,5-6H2
InChIKeyCMZKKAFKRAWITG-UHFFFAOYSA-N
MW274.15 g/mol
LogP2.54
Rot. Bonds

About 6,8-dichlorospiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-ol

6,8-dichlorospiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-ol (PubChem CID 82045909) has the molecular formula C12H13Cl2NO2 and a molecular weight of 274.15 g/mol. Its IUPAC name is 6,8-dichlorospiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-ol.

Molecular Properties

Compound Name6,8-dichlorospiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-ol
PubChem CID82045909
Molecular FormulaC12H13Cl2NO2
Molecular Weight274.15 g/mol
Exact Mass273.03
IUPAC Name6,8-dichlorospiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-ol
SMILESOC1CC2(CCNC2)Oc2c(Cl)cc(Cl)cc21
InChIInChI=1S/C12H13Cl2NO2/c13-7-3-8-10(16)5-12(1-2-15-6-12)17-11(8)9(14)4-7/h3-4,10,15-16H,1-2,5-6H2
InChIKeyCMZKKAFKRAWITG-UHFFFAOYSA-N
XLogP2.54
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.15
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6,8-dichlorospiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

spiro[2,3,7,8-tetrahydropyrano[3,2-h][1,4]benzodioxine-9,3'-pyrrolidine]-7-ol
CID 82045930
7-methoxyspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-ol
CID 82045910
6-chloro-7-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
CID 82045751
8-chloro-4-pyrrolidin-1-ylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]
CID 82047377
5,7-dimethylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-ol
CID 82045896
8-bromo-6-chlorospiro[3,4-dihydrochromene-2,3'-pyrrolidine]
CID 82046027
spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4,5-diol
CID 82045927
(4R)-6-chlorospiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol
CID 104949252
spiro[6,7-dihydro-[1,3]dioxolo[4,5-h]chromene-8,4'-piperidine]-6-ol
CID 82045766
6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
CID 82045746
(4S)-7-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
CID 104951801
(1R)-4,6-dichloro-3,3-dimethyl-1,2-dihydroinden-1-ol
CID 79837769

Frequently Asked Questions

What is the IUPAC name of 6,8-dichlorospiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-ol?
The IUPAC name of 6,8-dichlorospiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-ol (CID 82045909) is 6,8-dichlorospiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-ol.
What is the SMILES notation for 6,8-dichlorospiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-ol?
The canonical SMILES for 6,8-dichlorospiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-ol is OC1CC2(CCNC2)Oc2c(Cl)cc(Cl)cc21.
What is the InChIKey of 6,8-dichlorospiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-ol?
The InChIKey is CMZKKAFKRAWITG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2NO2/c13-7-3-8-10(16)5-12(1-2-15-6-12)17-11(8)9(14)4-7/h3-4,10,15-16H,1-2,5-6H2.
What are the key properties of 6,8-dichlorospiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-ol?
6,8-dichlorospiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-ol has a molecular weight of 274.15 g/mol, XLogP of 2.54, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dichlorospiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-ol is sourced from PubChem (CID 82045909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).