2-(1-methyl-2-oxoindol-3-ylidene)acetyl chloride

C11H8ClNO2 — CID 164576931

IUPAC2-(1-methyl-2-oxoindol-3-ylidene)acetyl chloride
SMILESCN1C(=O)C(=CC(=O)Cl)c2ccccc21
InChIInChI=1S/C11H8ClNO2/c1-13-9-5-3-2-4-7(9)8(11(13)15)6-10(12)14/h2-6H,1H3
InChIKeyXPYYBPGNPVOKJN-UHFFFAOYSA-N
MW221.64 g/mol
LogP1.81
Rot. Bonds1

About 2-(1-methyl-2-oxoindol-3-ylidene)acetyl chloride

2-(1-methyl-2-oxoindol-3-ylidene)acetyl chloride (PubChem CID 164576931) has the molecular formula C11H8ClNO2 and a molecular weight of 221.64 g/mol. Its IUPAC name is 2-(1-methyl-2-oxoindol-3-ylidene)acetyl chloride.

Molecular Properties

Compound Name2-(1-methyl-2-oxoindol-3-ylidene)acetyl chloride
PubChem CID164576931
Molecular FormulaC11H8ClNO2
Molecular Weight221.64 g/mol
Exact Mass221.02
IUPAC Name2-(1-methyl-2-oxoindol-3-ylidene)acetyl chloride
SMILESCN1C(=O)C(=CC(=O)Cl)c2ccccc21
InChIInChI=1S/C11H8ClNO2/c1-13-9-5-3-2-4-7(9)8(11(13)15)6-10(12)14/h2-6H,1H3
InChIKeyXPYYBPGNPVOKJN-UHFFFAOYSA-N
XLogP1.81
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.64
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl (2E)-2-(1-methyl-2-oxoindol-3-ylidene)acetate
CID 11367934
3-ethylidene-1-methylindol-2-one
CID 85157103
(3E)-1-methyl-3-propylideneindol-2-one
CID 58101344
(3E)-3-[(2-hydroxyphenyl)methylidene]-1-methylindol-2-one
CID 139193133
3-[(4-fluorophenyl)methylidene]-1-methylindol-2-one
CID 964242
(3Z)-1-methyl-3-[(4-methylpiperazin-1-yl)methylidene]indol-2-one
CID 113217895
2-(10-methylacridin-9-ylidene)-1-phenylethanone
CID 3797236
5-methyl-6-oxobenzo[b][1,4]benzodiazepine-11-carbonyl chloride
CID 139449063
1-methyl-3-[(4-phenylphenyl)methylidene]indol-2-one
CID 4209070
(3E)-5-fluoro-1-methyl-3-phenacylideneindol-2-one
CID 71551129
(3Z)-1-methyl-3-[(5-methylfuran-2-yl)methylidene]indol-2-one
CID 964149
(3E)-1-methyl-3-[(5-methylfuran-2-yl)methylidene]indol-2-one
CID 964148

Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-2-oxoindol-3-ylidene)acetyl chloride?
The IUPAC name of 2-(1-methyl-2-oxoindol-3-ylidene)acetyl chloride (CID 164576931) is 2-(1-methyl-2-oxoindol-3-ylidene)acetyl chloride.
What is the SMILES notation for 2-(1-methyl-2-oxoindol-3-ylidene)acetyl chloride?
The canonical SMILES for 2-(1-methyl-2-oxoindol-3-ylidene)acetyl chloride is CN1C(=O)C(=CC(=O)Cl)c2ccccc21.
What is the InChIKey of 2-(1-methyl-2-oxoindol-3-ylidene)acetyl chloride?
The InChIKey is XPYYBPGNPVOKJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClNO2/c1-13-9-5-3-2-4-7(9)8(11(13)15)6-10(12)14/h2-6H,1H3.
What are the key properties of 2-(1-methyl-2-oxoindol-3-ylidene)acetyl chloride?
2-(1-methyl-2-oxoindol-3-ylidene)acetyl chloride has a molecular weight of 221.64 g/mol, XLogP of 1.81, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-2-oxoindol-3-ylidene)acetyl chloride is sourced from PubChem (CID 164576931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).