4,6-dichloro-2-(pyrrolidin-1-ylmethyl)-2,3-dihydroinden-1-one

C14H15Cl2NO — CID 91595212

IUPAC4,6-dichloro-2-(pyrrolidin-1-ylmethyl)-2,3-dihydroinden-1-one
SMILESO=C1c2cc(Cl)cc(Cl)c2CC1CN1CCCC1
InChIInChI=1S/C14H15Cl2NO/c15-10-6-12-11(13(16)7-10)5-9(14(12)18)8-17-3-1-2-4-17/h6-7,9H,1-5,8H2
InChIKeyFOCJPRRUXXUHLH-UHFFFAOYSA-N
MW284.19 g/mol
LogP3.44
Rot. Bonds2

About 4,6-dichloro-2-(pyrrolidin-1-ylmethyl)-2,3-dihydroinden-1-one

4,6-dichloro-2-(pyrrolidin-1-ylmethyl)-2,3-dihydroinden-1-one (PubChem CID 91595212) has the molecular formula C14H15Cl2NO and a molecular weight of 284.19 g/mol. Its IUPAC name is 4,6-dichloro-2-(pyrrolidin-1-ylmethyl)-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name4,6-dichloro-2-(pyrrolidin-1-ylmethyl)-2,3-dihydroinden-1-one
PubChem CID91595212
Molecular FormulaC14H15Cl2NO
Molecular Weight284.19 g/mol
Exact Mass283.05
IUPAC Name4,6-dichloro-2-(pyrrolidin-1-ylmethyl)-2,3-dihydroinden-1-one
SMILESO=C1c2cc(Cl)cc(Cl)c2CC1CN1CCCC1
InChIInChI=1S/C14H15Cl2NO/c15-10-6-12-11(13(16)7-10)5-9(14(12)18)8-17-3-1-2-4-17/h6-7,9H,1-5,8H2
InChIKeyFOCJPRRUXXUHLH-UHFFFAOYSA-N
XLogP3.44
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.19
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4,6-dichloro-2-(pyrrolidin-1-ylmethyl)-2,3-dihydroinden-1-one 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

5-(5,7-dichloro-3-oxo-1,2-dihydroinden-2-yl)pentanoic acid
CID 13254254
2-(pyrrolidin-1-ylmethyl)-2,3,4,5,6,7-hexahydroinden-1-one;hydrochloride
CID 3021242
2-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-5,6,7-trimethoxy-3,4-dihydro-2H-naphthalen-1-one
CID 110182438
7-methoxy-4-(pyrrolidin-1-ylmethyl)-3,4-dihydro-2H-1-benzoxepin-5-one
CID 82248208
5,7-dichloro-1-oxo-3,4-dihydroisochromene-3-carboxylic acid
CID 102551558
6-(azetidin-1-ylmethyl)-4,4-dimethylcyclohex-2-en-1-one
CID 140979496
(2S)-2-but-2-enyl-4-chloro-2,3-dihydroinden-1-one
CID 67714022
(3R)-5,6-dichloro-3-[(2S)-2-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]-2,3-dihydroinden-1-one
CID 15132410
1-[2-(2,4,6-trichlorophenoxy)ethyl]piperidine
CID 5336537
2-(azocan-1-ylmethyl)-4,6-dichlorophenol
CID 82977984
(3S)-5,6-dichloro-3-[(2S)-2-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]-2,3-dihydroinden-1-one;hydrochloride
CID 67720494
6-methyl-9-(piperidin-1-ylmethyl)-1,2,4,7,8,9-hexahydrobenzo[f]quinoline-3,10-dione
CID 13324452

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-2-(pyrrolidin-1-ylmethyl)-2,3-dihydroinden-1-one?
The IUPAC name of 4,6-dichloro-2-(pyrrolidin-1-ylmethyl)-2,3-dihydroinden-1-one (CID 91595212) is 4,6-dichloro-2-(pyrrolidin-1-ylmethyl)-2,3-dihydroinden-1-one.
What is the SMILES notation for 4,6-dichloro-2-(pyrrolidin-1-ylmethyl)-2,3-dihydroinden-1-one?
The canonical SMILES for 4,6-dichloro-2-(pyrrolidin-1-ylmethyl)-2,3-dihydroinden-1-one is O=C1c2cc(Cl)cc(Cl)c2CC1CN1CCCC1.
What is the InChIKey of 4,6-dichloro-2-(pyrrolidin-1-ylmethyl)-2,3-dihydroinden-1-one?
The InChIKey is FOCJPRRUXXUHLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2NO/c15-10-6-12-11(13(16)7-10)5-9(14(12)18)8-17-3-1-2-4-17/h6-7,9H,1-5,8H2.
What are the key properties of 4,6-dichloro-2-(pyrrolidin-1-ylmethyl)-2,3-dihydroinden-1-one?
4,6-dichloro-2-(pyrrolidin-1-ylmethyl)-2,3-dihydroinden-1-one has a molecular weight of 284.19 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2-(pyrrolidin-1-ylmethyl)-2,3-dihydroinden-1-one is sourced from PubChem (CID 91595212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).