5,6-dichloro-1-pyrrolidin-1-yl-2,3-dihydro-1H-inden-2-ol

C13H15Cl2NO — CID 19919530

IUPAC5,6-dichloro-1-pyrrolidin-1-yl-2,3-dihydro-1H-inden-2-ol
SMILESOC1Cc2cc(Cl)c(Cl)cc2C1N1CCCC1
InChIInChI=1S/C13H15Cl2NO/c14-10-5-8-6-12(17)13(9(8)7-11(10)15)16-3-1-2-4-16/h5,7,12-13,17H,1-4,6H2
InChIKeyMUHZLHANHFHWDS-UHFFFAOYSA-N
MW272.17 g/mol
LogP3.05
Rot. Bonds1

About 5,6-dichloro-1-pyrrolidin-1-yl-2,3-dihydro-1H-inden-2-ol

5,6-dichloro-1-pyrrolidin-1-yl-2,3-dihydro-1H-inden-2-ol (PubChem CID 19919530) has the molecular formula C13H15Cl2NO and a molecular weight of 272.17 g/mol. Its IUPAC name is 5,6-dichloro-1-pyrrolidin-1-yl-2,3-dihydro-1H-inden-2-ol.

Molecular Properties

Compound Name5,6-dichloro-1-pyrrolidin-1-yl-2,3-dihydro-1H-inden-2-ol
PubChem CID19919530
Molecular FormulaC13H15Cl2NO
Molecular Weight272.17 g/mol
Exact Mass271.05
IUPAC Name5,6-dichloro-1-pyrrolidin-1-yl-2,3-dihydro-1H-inden-2-ol
SMILESOC1Cc2cc(Cl)c(Cl)cc2C1N1CCCC1
InChIInChI=1S/C13H15Cl2NO/c14-10-5-8-6-12(17)13(9(8)7-11(10)15)16-3-1-2-4-16/h5,7,12-13,17H,1-4,6H2
InChIKeyMUHZLHANHFHWDS-UHFFFAOYSA-N
XLogP3.05
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.17
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5,6-dichloro-1-pyrrolidin-1-yl-2,3-dihydro-1H-inden-2-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-1-pyrrolidin-1-yl-2,3-dihydro-1H-inden-2-ol?
The IUPAC name of 5,6-dichloro-1-pyrrolidin-1-yl-2,3-dihydro-1H-inden-2-ol (CID 19919530) is 5,6-dichloro-1-pyrrolidin-1-yl-2,3-dihydro-1H-inden-2-ol.
What is the SMILES notation for 5,6-dichloro-1-pyrrolidin-1-yl-2,3-dihydro-1H-inden-2-ol?
The canonical SMILES for 5,6-dichloro-1-pyrrolidin-1-yl-2,3-dihydro-1H-inden-2-ol is OC1Cc2cc(Cl)c(Cl)cc2C1N1CCCC1.
What is the InChIKey of 5,6-dichloro-1-pyrrolidin-1-yl-2,3-dihydro-1H-inden-2-ol?
The InChIKey is MUHZLHANHFHWDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2NO/c14-10-5-8-6-12(17)13(9(8)7-11(10)15)16-3-1-2-4-16/h5,7,12-13,17H,1-4,6H2.
What are the key properties of 5,6-dichloro-1-pyrrolidin-1-yl-2,3-dihydro-1H-inden-2-ol?
5,6-dichloro-1-pyrrolidin-1-yl-2,3-dihydro-1H-inden-2-ol has a molecular weight of 272.17 g/mol, XLogP of 3.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-1-pyrrolidin-1-yl-2,3-dihydro-1H-inden-2-ol is sourced from PubChem (CID 19919530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).