(4-chlorophenyl)-(1H-pyrrol-2-yl)methanone

C11H8ClNO — CID 640241

IUPAC(4-chlorophenyl)-(1H-pyrrol-2-yl)methanone
SMILESO=C(c1ccc(Cl)cc1)c1ccc[nH]1
InChIInChI=1S/C11H8ClNO/c12-9-5-3-8(4-6-9)11(14)10-2-1-7-13-10/h1-7,13H
InChIKeyYTVORWPYOKKVAM-UHFFFAOYSA-N
MW205.64 g/mol
LogP2.90
Rot. Bonds2

About (4-chlorophenyl)-(1H-pyrrol-2-yl)methanone

(4-chlorophenyl)-(1H-pyrrol-2-yl)methanone (PubChem CID 640241) has the molecular formula C11H8ClNO and a molecular weight of 205.64 g/mol. Its IUPAC name is (4-chlorophenyl)-(1H-pyrrol-2-yl)methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-(1H-pyrrol-2-yl)methanone
PubChem CID640241
Molecular FormulaC11H8ClNO
Molecular Weight205.64 g/mol
Exact Mass205.03
IUPAC Name(4-chlorophenyl)-(1H-pyrrol-2-yl)methanone
SMILESO=C(c1ccc(Cl)cc1)c1ccc[nH]1
InChIInChI=1S/C11H8ClNO/c12-9-5-3-8(4-6-9)11(14)10-2-1-7-13-10/h1-7,13H
InChIKeyYTVORWPYOKKVAM-UHFFFAOYSA-N
XLogP2.90
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.64
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-(1H-pyrrol-2-yl)methanone?
The IUPAC name of (4-chlorophenyl)-(1H-pyrrol-2-yl)methanone (CID 640241) is (4-chlorophenyl)-(1H-pyrrol-2-yl)methanone.
What is the SMILES notation for (4-chlorophenyl)-(1H-pyrrol-2-yl)methanone?
The canonical SMILES for (4-chlorophenyl)-(1H-pyrrol-2-yl)methanone is O=C(c1ccc(Cl)cc1)c1ccc[nH]1.
What is the InChIKey of (4-chlorophenyl)-(1H-pyrrol-2-yl)methanone?
The InChIKey is YTVORWPYOKKVAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClNO/c12-9-5-3-8(4-6-9)11(14)10-2-1-7-13-10/h1-7,13H.
What are the key properties of (4-chlorophenyl)-(1H-pyrrol-2-yl)methanone?
(4-chlorophenyl)-(1H-pyrrol-2-yl)methanone has a molecular weight of 205.64 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-(1H-pyrrol-2-yl)methanone is sourced from PubChem (CID 640241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).