2-pyrrolidin-1-ylbenzoyl chloride

C11H12ClNO — CID 140507858

IUPAC2-pyrrolidin-1-ylbenzoyl chloride
SMILESO=C(Cl)c1ccccc1N1CCCC1
InChIInChI=1S/C11H12ClNO/c12-11(14)9-5-1-2-6-10(9)13-7-3-4-8-13/h1-2,5-6H,3-4,7-8H2
InChIKeySZQQEGNLOIUWJW-UHFFFAOYSA-N
MW209.68 g/mol
LogP2.67
Rot. Bonds2

About 2-pyrrolidin-1-ylbenzoyl chloride

2-pyrrolidin-1-ylbenzoyl chloride (PubChem CID 140507858) has the molecular formula C11H12ClNO and a molecular weight of 209.68 g/mol. Its IUPAC name is 2-pyrrolidin-1-ylbenzoyl chloride.

Molecular Properties

Compound Name2-pyrrolidin-1-ylbenzoyl chloride
PubChem CID140507858
Molecular FormulaC11H12ClNO
Molecular Weight209.68 g/mol
Exact Mass209.06
IUPAC Name2-pyrrolidin-1-ylbenzoyl chloride
SMILESO=C(Cl)c1ccccc1N1CCCC1
InChIInChI=1S/C11H12ClNO/c12-11(14)9-5-1-2-6-10(9)13-7-3-4-8-13/h1-2,5-6H,3-4,7-8H2
InChIKeySZQQEGNLOIUWJW-UHFFFAOYSA-N
XLogP2.67
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.68
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methylpiperazin-1-yl)benzoyl chloride;hydrochloride
CID 174711988
(5,6-dihydroxy-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-(2-pyrrolidin-1-ylphenyl)methanone
CID 156607712
N-phenyl-2-pyrrolidin-1-ylbenzamide
CID 168515905
methyl 2-(azetidin-1-yl)benzoate
CID 131095388
(2-pyrrolidin-1-ylphenyl)-thiomorpholin-4-ylmethanone
CID 168513754
1-(2-piperidin-1-ylphenyl)butan-1-one
CID 10489705
(2-pyrrolidin-1-ylbenzoyl)oxy formate
CID 174847587
2,3-dihydroindol-1-yl-(2-pyrrolidin-1-ylphenyl)methanone
CID 168513032
N-cyclohexyl-2-pyrrolidin-1-ylbenzamide
CID 168514596
benzyl 2-pyrrolidin-1-ylbenzoate
CID 168514928
1-(2-carboxyphenyl)piperidine-3-carboxylic acid
CID 82537818
4-pyrrolidin-1-ylnaphthalene-1-carboxylic acid
CID 11564970

Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-1-ylbenzoyl chloride?
The IUPAC name of 2-pyrrolidin-1-ylbenzoyl chloride (CID 140507858) is 2-pyrrolidin-1-ylbenzoyl chloride.
What is the SMILES notation for 2-pyrrolidin-1-ylbenzoyl chloride?
The canonical SMILES for 2-pyrrolidin-1-ylbenzoyl chloride is O=C(Cl)c1ccccc1N1CCCC1.
What is the InChIKey of 2-pyrrolidin-1-ylbenzoyl chloride?
The InChIKey is SZQQEGNLOIUWJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO/c12-11(14)9-5-1-2-6-10(9)13-7-3-4-8-13/h1-2,5-6H,3-4,7-8H2.
What are the key properties of 2-pyrrolidin-1-ylbenzoyl chloride?
2-pyrrolidin-1-ylbenzoyl chloride has a molecular weight of 209.68 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-1-ylbenzoyl chloride is sourced from PubChem (CID 140507858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).