2-(1,3-dioxoisoindol-2-yl)acetyl chloride

C10H6ClNO3 — CID 11031536

IUPAC2-(1,3-dioxoisoindol-2-yl)acetyl chloride
SMILESO=C1c2ccccc2C(=O)N1[13CH2][13C](=O)Cl
InChIInChI=1S/C10H6ClNO3/c11-8(13)5-12-9(14)6-3-1-2-4-7(6)10(12)15/h1-4H,5H2/i5+1,8+1
InChIKeyRHZBRCQIKQUQHQ-LXCUQPLXSA-N
MW225.60 g/mol
LogP1.05
Rot. Bonds2

About 2-(1,3-dioxoisoindol-2-yl)acetyl chloride

2-(1,3-dioxoisoindol-2-yl)acetyl chloride (PubChem CID 11031536) has the molecular formula C10H6ClNO3 and a molecular weight of 225.60 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)acetyl chloride.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)acetyl chloride
PubChem CID11031536
Molecular FormulaC10H6ClNO3
Molecular Weight225.60 g/mol
Exact Mass225.01
IUPAC Name2-(1,3-dioxoisoindol-2-yl)acetyl chloride
SMILESO=C1c2ccccc2C(=O)N1[13CH2][13C](=O)Cl
InChIInChI=1S/C10H6ClNO3/c11-8(13)5-12-9(14)6-3-1-2-4-7(6)10(12)15/h1-4H,5H2/i5+1,8+1
InChIKeyRHZBRCQIKQUQHQ-LXCUQPLXSA-N
XLogP1.05
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.60
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

carbanide;2-(2-oxopropyl)isoindole-1,3-dione;tungsten
CID 158979735
2-(3-iodo-2-oxopropyl)isoindole-1,3-dione
CID 71756469
5-(1,3-dioxoisoindol-2-yl)-4-oxopentanoic acid
CID 15049038
2-(1,3-dioxoisoindol-2-yl)acetic acid;piperazine
CID 21152099
2-[4-(1,3-dioxoisoindol-2-yl)(1,4-13C2)butyl]isoindole-1,3-dione
CID 10784038
2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)acetyl chloride
CID 4641379
2-[2-(4-methylphenyl)-2-oxoethyl]isoindole-1,3-dione
CID 11987559
N-(4-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 719174
2-bromo-5-(1,3-dioxoisoindol-2-yl)pentanoyl chloride
CID 89149120
2-[(1E)-1-ethylidene-3-oxoisoindol-2-yl]acetic acid
CID 137320896
N-(2-acetamidoethyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 110756132
2-(2,5-dioxo-3-phenylpyrrol-1-yl)acetyl chloride
CID 139626797

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)acetyl chloride?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)acetyl chloride (CID 11031536) is 2-(1,3-dioxoisoindol-2-yl)acetyl chloride.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)acetyl chloride?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)acetyl chloride is O=C1c2ccccc2C(=O)N1[13CH2][13C](=O)Cl.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)acetyl chloride?
The InChIKey is RHZBRCQIKQUQHQ-LXCUQPLXSA-N. The full InChI is InChI=1S/C10H6ClNO3/c11-8(13)5-12-9(14)6-3-1-2-4-7(6)10(12)15/h1-4H,5H2/i5+1,8+1.
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)acetyl chloride?
2-(1,3-dioxoisoindol-2-yl)acetyl chloride has a molecular weight of 225.60 g/mol, XLogP of 1.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)acetyl chloride is sourced from PubChem (CID 11031536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).