1H-indole;2-oxopropanoyl chloride

C11H10ClNO2 — CID 143293579

IUPAC1H-indole;2-oxopropanoyl chloride
SMILESCC(=O)C(=O)Cl.c1ccc2[nH]ccc2c1
InChIInChI=1S/C8H7N.C3H3ClO2/c1-2-4-8-7(3-1)5-6-9-8;1-2(5)3(4)6/h1-6,9H;1H3
InChIKeyLOVURKRVZGOMMD-UHFFFAOYSA-N
MW223.66 g/mol
LogP2.51
Rot. Bonds1

About 1H-indole;2-oxopropanoyl chloride

1H-indole;2-oxopropanoyl chloride (PubChem CID 143293579) has the molecular formula C11H10ClNO2 and a molecular weight of 223.66 g/mol. Its IUPAC name is 1H-indole;2-oxopropanoyl chloride.

Molecular Properties

Compound Name1H-indole;2-oxopropanoyl chloride
PubChem CID143293579
Molecular FormulaC11H10ClNO2
Molecular Weight223.66 g/mol
Exact Mass223.04
IUPAC Name1H-indole;2-oxopropanoyl chloride
SMILESCC(=O)C(=O)Cl.c1ccc2[nH]ccc2c1
InChIInChI=1S/C8H7N.C3H3ClO2/c1-2-4-8-7(3-1)5-6-9-8;1-2(5)3(4)6/h1-6,9H;1H3
InChIKeyLOVURKRVZGOMMD-UHFFFAOYSA-N
XLogP2.51
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.66
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1H-indole;2-oxopropanoyl chloride?
The IUPAC name of 1H-indole;2-oxopropanoyl chloride (CID 143293579) is 1H-indole;2-oxopropanoyl chloride.
What is the SMILES notation for 1H-indole;2-oxopropanoyl chloride?
The canonical SMILES for 1H-indole;2-oxopropanoyl chloride is CC(=O)C(=O)Cl.c1ccc2[nH]ccc2c1.
What is the InChIKey of 1H-indole;2-oxopropanoyl chloride?
The InChIKey is LOVURKRVZGOMMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N.C3H3ClO2/c1-2-4-8-7(3-1)5-6-9-8;1-2(5)3(4)6/h1-6,9H;1H3.
What are the key properties of 1H-indole;2-oxopropanoyl chloride?
1H-indole;2-oxopropanoyl chloride has a molecular weight of 223.66 g/mol, XLogP of 2.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indole;2-oxopropanoyl chloride is sourced from PubChem (CID 143293579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).