2-chloro-1-(2,3-dihydroindol-1-yl)propan-1-one

C11H12ClNO — CID 3865646

IUPAC2-chloro-1-(2,3-dihydroindol-1-yl)propan-1-one
SMILESCC(Cl)C(=O)N1CCc2ccccc21
InChIInChI=1S/C11H12ClNO/c1-8(12)11(14)13-7-6-9-4-2-3-5-10(9)13/h2-5,8H,6-7H2,1H3
InChIKeyDLXVQAFCFXWGFM-UHFFFAOYSA-N
MW209.68 g/mol
LogP2.20
Rot. Bonds1

About 2-chloro-1-(2,3-dihydroindol-1-yl)propan-1-one

2-chloro-1-(2,3-dihydroindol-1-yl)propan-1-one (PubChem CID 3865646) has the molecular formula C11H12ClNO and a molecular weight of 209.68 g/mol. Its IUPAC name is 2-chloro-1-(2,3-dihydroindol-1-yl)propan-1-one.

Molecular Properties

Compound Name2-chloro-1-(2,3-dihydroindol-1-yl)propan-1-one
PubChem CID3865646
Molecular FormulaC11H12ClNO
Molecular Weight209.68 g/mol
Exact Mass209.06
IUPAC Name2-chloro-1-(2,3-dihydroindol-1-yl)propan-1-one
SMILESCC(Cl)C(=O)N1CCc2ccccc21
InChIInChI=1S/C11H12ClNO/c1-8(12)11(14)13-7-6-9-4-2-3-5-10(9)13/h2-5,8H,6-7H2,1H3
InChIKeyDLXVQAFCFXWGFM-UHFFFAOYSA-N
XLogP2.20
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.68
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(2,3-dihydroindol-1-yl)propan-1-one?
The IUPAC name of 2-chloro-1-(2,3-dihydroindol-1-yl)propan-1-one (CID 3865646) is 2-chloro-1-(2,3-dihydroindol-1-yl)propan-1-one.
What is the SMILES notation for 2-chloro-1-(2,3-dihydroindol-1-yl)propan-1-one?
The canonical SMILES for 2-chloro-1-(2,3-dihydroindol-1-yl)propan-1-one is CC(Cl)C(=O)N1CCc2ccccc21.
What is the InChIKey of 2-chloro-1-(2,3-dihydroindol-1-yl)propan-1-one?
The InChIKey is DLXVQAFCFXWGFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO/c1-8(12)11(14)13-7-6-9-4-2-3-5-10(9)13/h2-5,8H,6-7H2,1H3.
What are the key properties of 2-chloro-1-(2,3-dihydroindol-1-yl)propan-1-one?
2-chloro-1-(2,3-dihydroindol-1-yl)propan-1-one has a molecular weight of 209.68 g/mol, XLogP of 2.20, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(2,3-dihydroindol-1-yl)propan-1-one is sourced from PubChem (CID 3865646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).