(1R,3R)-1-(3,4-dichlorophenyl)spiro[1,2-dihydroindene-3,3'-pyrrolidine]

C18H17Cl2N — CID 15870816

IUPAC(1R,3R)-1-(3,4-dichlorophenyl)spiro[1,2-dihydroindene-3,3'-pyrrolidine]
SMILESClc1ccc([C@H]2C[C@@]3(CCNC3)c3ccccc32)cc1Cl
InChIInChI=1S/C18H17Cl2N/c19-16-6-5-12(9-17(16)20)14-10-18(7-8-21-11-18)15-4-2-1-3-13(14)15/h1-6,9,14,21H,7-8,10-11H2/t14-,18-/m1/s1
InChIKeyJQZQNKFLQQADGK-RDTXWAMCSA-N
MW318.25 g/mol
LogP4.76
Rot. Bonds1

About (1R,3R)-1-(3,4-dichlorophenyl)spiro[1,2-dihydroindene-3,3'-pyrrolidine]

(1R,3R)-1-(3,4-dichlorophenyl)spiro[1,2-dihydroindene-3,3'-pyrrolidine] (PubChem CID 15870816) has the molecular formula C18H17Cl2N and a molecular weight of 318.25 g/mol. Its IUPAC name is (1R,3R)-1-(3,4-dichlorophenyl)spiro[1,2-dihydroindene-3,3'-pyrrolidine].

Molecular Properties

Compound Name(1R,3R)-1-(3,4-dichlorophenyl)spiro[1,2-dihydroindene-3,3'-pyrrolidine]
PubChem CID15870816
Molecular FormulaC18H17Cl2N
Molecular Weight318.25 g/mol
Exact Mass317.07
IUPAC Name(1R,3R)-1-(3,4-dichlorophenyl)spiro[1,2-dihydroindene-3,3'-pyrrolidine]
SMILESClc1ccc([C@H]2C[C@@]3(CCNC3)c3ccccc32)cc1Cl
InChIInChI=1S/C18H17Cl2N/c19-16-6-5-12(9-17(16)20)14-10-18(7-8-21-11-18)15-4-2-1-3-13(14)15/h1-6,9,14,21H,7-8,10-11H2/t14-,18-/m1/s1
InChIKeyJQZQNKFLQQADGK-RDTXWAMCSA-N
XLogP4.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.25
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R,3R)-1-(3,4-dichlorophenyl)spiro[1,2-dihydroindene-3,3'-pyrrolidine]?
The IUPAC name of (1R,3R)-1-(3,4-dichlorophenyl)spiro[1,2-dihydroindene-3,3'-pyrrolidine] (CID 15870816) is (1R,3R)-1-(3,4-dichlorophenyl)spiro[1,2-dihydroindene-3,3'-pyrrolidine].
What is the SMILES notation for (1R,3R)-1-(3,4-dichlorophenyl)spiro[1,2-dihydroindene-3,3'-pyrrolidine]?
The canonical SMILES for (1R,3R)-1-(3,4-dichlorophenyl)spiro[1,2-dihydroindene-3,3'-pyrrolidine] is Clc1ccc([C@H]2C[C@@]3(CCNC3)c3ccccc32)cc1Cl.
What is the InChIKey of (1R,3R)-1-(3,4-dichlorophenyl)spiro[1,2-dihydroindene-3,3'-pyrrolidine]?
The InChIKey is JQZQNKFLQQADGK-RDTXWAMCSA-N. The full InChI is InChI=1S/C18H17Cl2N/c19-16-6-5-12(9-17(16)20)14-10-18(7-8-21-11-18)15-4-2-1-3-13(14)15/h1-6,9,14,21H,7-8,10-11H2/t14-,18-/m1/s1.
What are the key properties of (1R,3R)-1-(3,4-dichlorophenyl)spiro[1,2-dihydroindene-3,3'-pyrrolidine]?
(1R,3R)-1-(3,4-dichlorophenyl)spiro[1,2-dihydroindene-3,3'-pyrrolidine] has a molecular weight of 318.25 g/mol, XLogP of 4.76, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R)-1-(3,4-dichlorophenyl)spiro[1,2-dihydroindene-3,3'-pyrrolidine] is sourced from PubChem (CID 15870816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).