5-chloro-2-[(dimethylamino)methyl]-2,3-dihydroinden-1-one;hydrochloride

C12H15Cl2NO — CID 118714889

IUPAC5-chloro-2-[(dimethylamino)methyl]-2,3-dihydroinden-1-one;hydrochloride
SMILESCN(C)CC1Cc2cc(Cl)ccc2C1=O.Cl
InChIInChI=1S/C12H14ClNO.ClH/c1-14(2)7-9-5-8-6-10(13)3-4-11(8)12(9)15;/h3-4,6,9H,5,7H2,1-2H3;1H
InChIKeyKJVPMUCLUYCGRK-UHFFFAOYSA-N
MW260.16 g/mol
LogP2.68
Rot. Bonds2

About 5-chloro-2-[(dimethylamino)methyl]-2,3-dihydroinden-1-one;hydrochloride

5-chloro-2-[(dimethylamino)methyl]-2,3-dihydroinden-1-one;hydrochloride (PubChem CID 118714889) has the molecular formula C12H15Cl2NO and a molecular weight of 260.16 g/mol. Its IUPAC name is 5-chloro-2-[(dimethylamino)methyl]-2,3-dihydroinden-1-one;hydrochloride.

Molecular Properties

Compound Name5-chloro-2-[(dimethylamino)methyl]-2,3-dihydroinden-1-one;hydrochloride
PubChem CID118714889
Molecular FormulaC12H15Cl2NO
Molecular Weight260.16 g/mol
Exact Mass259.05
IUPAC Name5-chloro-2-[(dimethylamino)methyl]-2,3-dihydroinden-1-one;hydrochloride
SMILESCN(C)CC1Cc2cc(Cl)ccc2C1=O.Cl
InChIInChI=1S/C12H14ClNO.ClH/c1-14(2)7-9-5-8-6-10(13)3-4-11(8)12(9)15;/h3-4,6,9H,5,7H2,1-2H3;1H
InChIKeyKJVPMUCLUYCGRK-UHFFFAOYSA-N
XLogP2.68
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.16
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-chloro-2-[(dimethylamino)methyl]-2,3-dihydroinden-1-one;hydrochloride 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-chloro-2-[(dimethylamino)methyl]-2,3-dihydroinden-1-one;hydrochloride?
The IUPAC name of 5-chloro-2-[(dimethylamino)methyl]-2,3-dihydroinden-1-one;hydrochloride (CID 118714889) is 5-chloro-2-[(dimethylamino)methyl]-2,3-dihydroinden-1-one;hydrochloride.
What is the SMILES notation for 5-chloro-2-[(dimethylamino)methyl]-2,3-dihydroinden-1-one;hydrochloride?
The canonical SMILES for 5-chloro-2-[(dimethylamino)methyl]-2,3-dihydroinden-1-one;hydrochloride is CN(C)CC1Cc2cc(Cl)ccc2C1=O.Cl.
What is the InChIKey of 5-chloro-2-[(dimethylamino)methyl]-2,3-dihydroinden-1-one;hydrochloride?
The InChIKey is KJVPMUCLUYCGRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO.ClH/c1-14(2)7-9-5-8-6-10(13)3-4-11(8)12(9)15;/h3-4,6,9H,5,7H2,1-2H3;1H.
What are the key properties of 5-chloro-2-[(dimethylamino)methyl]-2,3-dihydroinden-1-one;hydrochloride?
5-chloro-2-[(dimethylamino)methyl]-2,3-dihydroinden-1-one;hydrochloride has a molecular weight of 260.16 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(dimethylamino)methyl]-2,3-dihydroinden-1-one;hydrochloride is sourced from PubChem (CID 118714889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).