(2-chlorophenyl)-pyrrol-1-ylmethanone

C11H8ClNO — CID 10987413

IUPAC(2-chlorophenyl)-pyrrol-1-ylmethanone
SMILESO=C(c1ccccc1Cl)n1cccc1
InChIInChI=1S/C11H8ClNO/c12-10-6-2-1-5-9(10)11(14)13-7-3-4-8-13/h1-8H
InChIKeyLJRHVZNLNZQHFG-UHFFFAOYSA-N
MW205.64 g/mol
LogP2.83
Rot. Bonds1

About (2-chlorophenyl)-pyrrol-1-ylmethanone

(2-chlorophenyl)-pyrrol-1-ylmethanone (PubChem CID 10987413) has the molecular formula C11H8ClNO and a molecular weight of 205.64 g/mol. Its IUPAC name is (2-chlorophenyl)-pyrrol-1-ylmethanone.

Molecular Properties

Compound Name(2-chlorophenyl)-pyrrol-1-ylmethanone
PubChem CID10987413
Molecular FormulaC11H8ClNO
Molecular Weight205.64 g/mol
Exact Mass205.03
IUPAC Name(2-chlorophenyl)-pyrrol-1-ylmethanone
SMILESO=C(c1ccccc1Cl)n1cccc1
InChIInChI=1S/C11H8ClNO/c12-10-6-2-1-5-9(10)11(14)13-7-3-4-8-13/h1-8H
InChIKeyLJRHVZNLNZQHFG-UHFFFAOYSA-N
XLogP2.83
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.64
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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1-(2-chlorophenyl)ethanone;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-pyrrol-1-ylmethanone?
The IUPAC name of (2-chlorophenyl)-pyrrol-1-ylmethanone (CID 10987413) is (2-chlorophenyl)-pyrrol-1-ylmethanone.
What is the SMILES notation for (2-chlorophenyl)-pyrrol-1-ylmethanone?
The canonical SMILES for (2-chlorophenyl)-pyrrol-1-ylmethanone is O=C(c1ccccc1Cl)n1cccc1.
What is the InChIKey of (2-chlorophenyl)-pyrrol-1-ylmethanone?
The InChIKey is LJRHVZNLNZQHFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClNO/c12-10-6-2-1-5-9(10)11(14)13-7-3-4-8-13/h1-8H.
What are the key properties of (2-chlorophenyl)-pyrrol-1-ylmethanone?
(2-chlorophenyl)-pyrrol-1-ylmethanone has a molecular weight of 205.64 g/mol, XLogP of 2.83, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-pyrrol-1-ylmethanone is sourced from PubChem (CID 10987413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).