1-[(6R,7R,8R)-8-(3,4-dichlorophenyl)-6,7-dimethyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-yl]pyrrolidine

C22H23Cl2NO3 — CID 28908695

IUPAC1-[(6R,7R,8R)-8-(3,4-dichlorophenyl)-6,7-dimethyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-yl]pyrrolidine
SMILESC[C@@H]1[C@H](c2ccc(Cl)c(Cl)c2)c2cc3c(cc2O[C@@]1(C)N1CCCC1)OCO3
InChIInChI=1S/C22H23Cl2NO3/c1-13-21(14-5-6-16(23)17(24)9-14)15-10-19-20(27-12-26-19)11-18(15)28-22(13,2)25-7-3-4-8-25/h5-6,9-11,13,21H,3-4,7-8,12H2,1-2H3/t13-,21-,22-/m1/s1
InChIKeyAWHYQLPXMIHKLX-NBQKENEESA-N
MW420.34 g/mol
LogP5.69
Rot. Bonds2

About 1-[(6R,7R,8R)-8-(3,4-dichlorophenyl)-6,7-dimethyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-yl]pyrrolidine

1-[(6R,7R,8R)-8-(3,4-dichlorophenyl)-6,7-dimethyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-yl]pyrrolidine (PubChem CID 28908695) has the molecular formula C22H23Cl2NO3 and a molecular weight of 420.34 g/mol. Its IUPAC name is 1-[(6R,7R,8R)-8-(3,4-dichlorophenyl)-6,7-dimethyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-yl]pyrrolidine.

Molecular Properties

Compound Name1-[(6R,7R,8R)-8-(3,4-dichlorophenyl)-6,7-dimethyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-yl]pyrrolidine
PubChem CID28908695
Molecular FormulaC22H23Cl2NO3
Molecular Weight420.34 g/mol
Exact Mass419.11
IUPAC Name1-[(6R,7R,8R)-8-(3,4-dichlorophenyl)-6,7-dimethyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-yl]pyrrolidine
SMILESC[C@@H]1[C@H](c2ccc(Cl)c(Cl)c2)c2cc3c(cc2O[C@@]1(C)N1CCCC1)OCO3
InChIInChI=1S/C22H23Cl2NO3/c1-13-21(14-5-6-16(23)17(24)9-14)15-10-19-20(27-12-26-19)11-18(15)28-22(13,2)25-7-3-4-8-25/h5-6,9-11,13,21H,3-4,7-8,12H2,1-2H3/t13-,21-,22-/m1/s1
InChIKeyAWHYQLPXMIHKLX-NBQKENEESA-N
XLogP5.69
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.34
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(6R,7R,8R)-8-(3,4-dichlorophenyl)-6,7-dimethyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-yl]pyrrolidine 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

1-[8-(3,4-dichlorophenyl)-6,7-dimethyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-yl]pyrrolidine
CID 3751695
1-[(6S,7R,8R)-8-(4-bromophenyl)-6,7-dimethyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-yl]pyrrolidine
CID 98747475
1-[(6R,7R,8R)-8-(4-methoxyphenyl)-6,7-dimethyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-yl]pyrrolidine
CID 7601810
2-(6,7-dimethyl-6-pyrrolidin-1-yl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-8-yl)-6-methoxyphenol;propane
CID 142018936
8-(4-methoxyphenyl)-6,6,7-trimethyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromene
CID 18337459
1-[(6R,7R,8R)-8-(4-methoxyphenyl)-6,7-dimethyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-yl]pyrrolidin-1-ium
CID 7601809
1-[(6R,7S,8S)-8-(4-methoxyphenyl)-6,7-dimethyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-yl]pyrrolidin-1-ium
CID 7601886
N,N-dimethyl-4-[(6R,8R)-6-methyl-6-pyrrolidin-1-yl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-8-yl]aniline
CID 987535
N,N-dimethyl-4-[(6R,8S)-6-methyl-6-pyrrolidin-1-yl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-8-yl]aniline
CID 987530
1-[(6R,8R)-8-(4-methoxyphenyl)-6-methyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-yl]pyrrolidine
CID 92855581
ethyl (6S,7R,8R)-8-(2,4-dimethoxyphenyl)-6-methyl-6-pyrrolidin-1-yl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromene-7-carboxylate
CID 124826515
8-(3,4-dichlorophenyl)-5-propan-2-yl-7,8-dihydro-[1,3]dioxolo[4,5-g]quinazolin-6-one
CID 12789472

Frequently Asked Questions

What is the IUPAC name of 1-[(6R,7R,8R)-8-(3,4-dichlorophenyl)-6,7-dimethyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-yl]pyrrolidine?
The IUPAC name of 1-[(6R,7R,8R)-8-(3,4-dichlorophenyl)-6,7-dimethyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-yl]pyrrolidine (CID 28908695) is 1-[(6R,7R,8R)-8-(3,4-dichlorophenyl)-6,7-dimethyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-yl]pyrrolidine.
What is the SMILES notation for 1-[(6R,7R,8R)-8-(3,4-dichlorophenyl)-6,7-dimethyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-yl]pyrrolidine?
The canonical SMILES for 1-[(6R,7R,8R)-8-(3,4-dichlorophenyl)-6,7-dimethyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-yl]pyrrolidine is C[C@@H]1[C@H](c2ccc(Cl)c(Cl)c2)c2cc3c(cc2O[C@@]1(C)N1CCCC1)OCO3.
What is the InChIKey of 1-[(6R,7R,8R)-8-(3,4-dichlorophenyl)-6,7-dimethyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-yl]pyrrolidine?
The InChIKey is AWHYQLPXMIHKLX-NBQKENEESA-N. The full InChI is InChI=1S/C22H23Cl2NO3/c1-13-21(14-5-6-16(23)17(24)9-14)15-10-19-20(27-12-26-19)11-18(15)28-22(13,2)25-7-3-4-8-25/h5-6,9-11,13,21H,3-4,7-8,12H2,1-2H3/t13-,21-,22-/m1/s1.
What are the key properties of 1-[(6R,7R,8R)-8-(3,4-dichlorophenyl)-6,7-dimethyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-yl]pyrrolidine?
1-[(6R,7R,8R)-8-(3,4-dichlorophenyl)-6,7-dimethyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-yl]pyrrolidine has a molecular weight of 420.34 g/mol, XLogP of 5.69, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6R,7R,8R)-8-(3,4-dichlorophenyl)-6,7-dimethyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-yl]pyrrolidine is sourced from PubChem (CID 28908695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).