2-pyrrolidin-2-ylbenzoyl chloride

C11H12ClNO — CID 175389600

IUPAC2-pyrrolidin-2-ylbenzoyl chloride
SMILESO=C(Cl)c1ccccc1C1CCCN1
InChIInChI=1S/C11H12ClNO/c12-11(14)9-5-2-1-4-8(9)10-6-3-7-13-10/h1-2,4-5,10,13H,3,6-7H2
InChIKeyVNINROOLHZYETR-UHFFFAOYSA-N
MW209.68 g/mol
LogP2.49
Rot. Bonds2

About 2-pyrrolidin-2-ylbenzoyl chloride

2-pyrrolidin-2-ylbenzoyl chloride (PubChem CID 175389600) has the molecular formula C11H12ClNO and a molecular weight of 209.68 g/mol. Its IUPAC name is 2-pyrrolidin-2-ylbenzoyl chloride.

Molecular Properties

Compound Name2-pyrrolidin-2-ylbenzoyl chloride
PubChem CID175389600
Molecular FormulaC11H12ClNO
Molecular Weight209.68 g/mol
Exact Mass209.06
IUPAC Name2-pyrrolidin-2-ylbenzoyl chloride
SMILESO=C(Cl)c1ccccc1C1CCCN1
InChIInChI=1S/C11H12ClNO/c12-11(14)9-5-2-1-4-8(9)10-6-3-7-13-10/h1-2,4-5,10,13H,3,6-7H2
InChIKeyVNINROOLHZYETR-UHFFFAOYSA-N
XLogP2.49
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.68
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-pyrrolidin-2-ylbenzamide
CID 18403954
2-cyclopropylbenzoyl chloride
CID 118024624
2-[(2R)-pyrrolidin-2-yl]benzenethiol
CID 66518323
[2-[(2S)-pyrrolidin-2-yl]phenyl]methanol
CID 66518247
(2R)-2-(2-fluorophenyl)pyrrolidine;methane
CID 161076171
2-(2-cyclohexylphenyl)pyrrolidine
CID 77131701
(2S)-2-(2-fluorophenyl)pyrrolidine;hydrochloride
CID 66518510
2-pyrrolidin-2-ylaniline;dihydrochloride
CID 66519278
2-chloro-6-[(2S)-pyrrolidin-2-yl]phenol
CID 66518543
N-(2-piperidin-2-ylphenyl)acetamide
CID 83404303
2-(2-cyclopentylphenyl)piperidine
CID 115005914
2-[2-(oxetan-3-yl)phenyl]pyrrolidine
CID 83832200

Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-2-ylbenzoyl chloride?
The IUPAC name of 2-pyrrolidin-2-ylbenzoyl chloride (CID 175389600) is 2-pyrrolidin-2-ylbenzoyl chloride.
What is the SMILES notation for 2-pyrrolidin-2-ylbenzoyl chloride?
The canonical SMILES for 2-pyrrolidin-2-ylbenzoyl chloride is O=C(Cl)c1ccccc1C1CCCN1.
What is the InChIKey of 2-pyrrolidin-2-ylbenzoyl chloride?
The InChIKey is VNINROOLHZYETR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO/c12-11(14)9-5-2-1-4-8(9)10-6-3-7-13-10/h1-2,4-5,10,13H,3,6-7H2.
What are the key properties of 2-pyrrolidin-2-ylbenzoyl chloride?
2-pyrrolidin-2-ylbenzoyl chloride has a molecular weight of 209.68 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-2-ylbenzoyl chloride is sourced from PubChem (CID 175389600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).