(2-chloro-1H-pyrrol-3-yl)-phenylmethanone

C11H8ClNO — CID 68753347

IUPAC(2-chloro-1H-pyrrol-3-yl)-phenylmethanone
SMILESO=C(c1ccccc1)c1cc[nH]c1Cl
InChIInChI=1S/C11H8ClNO/c12-11-9(6-7-13-11)10(14)8-4-2-1-3-5-8/h1-7,13H
InChIKeyLHHPHETVMSYTIY-UHFFFAOYSA-N
MW205.64 g/mol
LogP2.90
Rot. Bonds2

About (2-chloro-1H-pyrrol-3-yl)-phenylmethanone

(2-chloro-1H-pyrrol-3-yl)-phenylmethanone (PubChem CID 68753347) has the molecular formula C11H8ClNO and a molecular weight of 205.64 g/mol. Its IUPAC name is (2-chloro-1H-pyrrol-3-yl)-phenylmethanone.

Molecular Properties

Compound Name(2-chloro-1H-pyrrol-3-yl)-phenylmethanone
PubChem CID68753347
Molecular FormulaC11H8ClNO
Molecular Weight205.64 g/mol
Exact Mass205.03
IUPAC Name(2-chloro-1H-pyrrol-3-yl)-phenylmethanone
SMILESO=C(c1ccccc1)c1cc[nH]c1Cl
InChIInChI=1S/C11H8ClNO/c12-11-9(6-7-13-11)10(14)8-4-2-1-3-5-8/h1-7,13H
InChIKeyLHHPHETVMSYTIY-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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Related Compounds

(2-methyl-1H-pyrrol-3-yl)-phenylmethanone
CID 15883182
2-(3-benzoyl-1H-pyrrol-2-yl)acetic acid
CID 86174561
(2-chlorophenyl)-phenylmethanone;diphenylmethanone
CID 157388336
diphenylmethanone
CID 3102
tetrakis(carbonochloridic acid);diphenylmethanone
CID 173240243
(4-chloro-1H-indol-3-yl)-phenylmethanone
CID 12030231
diphenylmethanone;gold
CID 174931146
bis(diphenylmethanone);dihydrochloride
CID 69107757
disodium;diphenylmethanone
CID 19380838
cobalt(2+);diphenylmethanone
CID 19033779
2-benzoylbenzoic acid;hydrofluoride
CID 70485904
(4-chlorophenyl)-phenylmethanone dichloride
CID 22505815

Frequently Asked Questions

What is the IUPAC name of (2-chloro-1H-pyrrol-3-yl)-phenylmethanone?
The IUPAC name of (2-chloro-1H-pyrrol-3-yl)-phenylmethanone (CID 68753347) is (2-chloro-1H-pyrrol-3-yl)-phenylmethanone.
What is the SMILES notation for (2-chloro-1H-pyrrol-3-yl)-phenylmethanone?
The canonical SMILES for (2-chloro-1H-pyrrol-3-yl)-phenylmethanone is O=C(c1ccccc1)c1cc[nH]c1Cl.
What is the InChIKey of (2-chloro-1H-pyrrol-3-yl)-phenylmethanone?
The InChIKey is LHHPHETVMSYTIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClNO/c12-11-9(6-7-13-11)10(14)8-4-2-1-3-5-8/h1-7,13H.
What are the key properties of (2-chloro-1H-pyrrol-3-yl)-phenylmethanone?
(2-chloro-1H-pyrrol-3-yl)-phenylmethanone 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 (2-chloro-1H-pyrrol-3-yl)-phenylmethanone is sourced from PubChem (CID 68753347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).