2-chloro-1-(1-methylindol-3-yl)ethanone

C11H10ClNO — CID 934321

IUPAC2-chloro-1-(1-methylindol-3-yl)ethanone
SMILESCn1cc(C(=O)CCl)c2ccccc21
InChIInChI=1S/C11H10ClNO/c1-13-7-9(11(14)6-12)8-4-2-3-5-10(8)13/h2-5,7H,6H2,1H3
InChIKeyJTCYBIQASPKCFC-UHFFFAOYSA-N
MW207.66 g/mol
LogP2.60
Rot. Bonds2

About 2-chloro-1-(1-methylindol-3-yl)ethanone

2-chloro-1-(1-methylindol-3-yl)ethanone (PubChem CID 934321) has the molecular formula C11H10ClNO and a molecular weight of 207.66 g/mol. Its IUPAC name is 2-chloro-1-(1-methylindol-3-yl)ethanone.

Molecular Properties

Compound Name2-chloro-1-(1-methylindol-3-yl)ethanone
PubChem CID934321
Molecular FormulaC11H10ClNO
Molecular Weight207.66 g/mol
Exact Mass207.05
IUPAC Name2-chloro-1-(1-methylindol-3-yl)ethanone
SMILESCn1cc(C(=O)CCl)c2ccccc21
InChIInChI=1S/C11H10ClNO/c1-13-7-9(11(14)6-12)8-4-2-3-5-10(8)13/h2-5,7H,6H2,1H3
InChIKeyJTCYBIQASPKCFC-UHFFFAOYSA-N
XLogP2.60
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.66
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(1-methylindol-3-yl)ethanone?
The IUPAC name of 2-chloro-1-(1-methylindol-3-yl)ethanone (CID 934321) is 2-chloro-1-(1-methylindol-3-yl)ethanone.
What is the SMILES notation for 2-chloro-1-(1-methylindol-3-yl)ethanone?
The canonical SMILES for 2-chloro-1-(1-methylindol-3-yl)ethanone is Cn1cc(C(=O)CCl)c2ccccc21.
What is the InChIKey of 2-chloro-1-(1-methylindol-3-yl)ethanone?
The InChIKey is JTCYBIQASPKCFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO/c1-13-7-9(11(14)6-12)8-4-2-3-5-10(8)13/h2-5,7H,6H2,1H3.
What are the key properties of 2-chloro-1-(1-methylindol-3-yl)ethanone?
2-chloro-1-(1-methylindol-3-yl)ethanone has a molecular weight of 207.66 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(1-methylindol-3-yl)ethanone is sourced from PubChem (CID 934321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).