2-chloro-1-(1H-indol-3-yl)propan-1-one

C11H10ClNO — CID 4868392

IUPAC2-chloro-1-(1H-indol-3-yl)propan-1-one
SMILESCC(Cl)C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C11H10ClNO/c1-7(12)11(14)9-6-13-10-5-3-2-4-8(9)10/h2-7,13H,1H3
InChIKeyITKRRBMAMUDWMP-UHFFFAOYSA-N
MW207.66 g/mol
LogP2.98
Rot. Bonds2

About 2-chloro-1-(1H-indol-3-yl)propan-1-one

2-chloro-1-(1H-indol-3-yl)propan-1-one (PubChem CID 4868392) has the molecular formula C11H10ClNO and a molecular weight of 207.66 g/mol. Its IUPAC name is 2-chloro-1-(1H-indol-3-yl)propan-1-one.

Molecular Properties

Compound Name2-chloro-1-(1H-indol-3-yl)propan-1-one
PubChem CID4868392
Molecular FormulaC11H10ClNO
Molecular Weight207.66 g/mol
Exact Mass207.05
IUPAC Name2-chloro-1-(1H-indol-3-yl)propan-1-one
SMILESCC(Cl)C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C11H10ClNO/c1-7(12)11(14)9-6-13-10-5-3-2-4-8(9)10/h2-7,13H,1H3
InChIKeyITKRRBMAMUDWMP-UHFFFAOYSA-N
XLogP2.98
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.66
LogP ≤ 52.98
H-Bond Donors ≤ 51
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-(1H-indol-3-yl)propan-1-one?
The IUPAC name of 2-chloro-1-(1H-indol-3-yl)propan-1-one (CID 4868392) is 2-chloro-1-(1H-indol-3-yl)propan-1-one.
What is the SMILES notation for 2-chloro-1-(1H-indol-3-yl)propan-1-one?
The canonical SMILES for 2-chloro-1-(1H-indol-3-yl)propan-1-one is CC(Cl)C(=O)c1c[nH]c2ccccc12.
What is the InChIKey of 2-chloro-1-(1H-indol-3-yl)propan-1-one?
The InChIKey is ITKRRBMAMUDWMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO/c1-7(12)11(14)9-6-13-10-5-3-2-4-8(9)10/h2-7,13H,1H3.
What are the key properties of 2-chloro-1-(1H-indol-3-yl)propan-1-one?
2-chloro-1-(1H-indol-3-yl)propan-1-one has a molecular weight of 207.66 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(1H-indol-3-yl)propan-1-one is sourced from PubChem (CID 4868392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).