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

C12H11NO — CID 15883182

IUPAC(2-methyl-1H-pyrrol-3-yl)-phenylmethanone
SMILESCc1[nH]ccc1C(=O)c1ccccc1
InChIInChI=1S/C12H11NO/c1-9-11(7-8-13-9)12(14)10-5-3-2-4-6-10/h2-8,13H,1H3
InChIKeyKZTGYMADXBMPLH-UHFFFAOYSA-N
MW185.23 g/mol
LogP2.55
Rot. Bonds2

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

(2-methyl-1H-pyrrol-3-yl)-phenylmethanone (PubChem CID 15883182) has the molecular formula C12H11NO and a molecular weight of 185.23 g/mol. Its IUPAC name is (2-methyl-1H-pyrrol-3-yl)-phenylmethanone.

Molecular Properties

Compound Name(2-methyl-1H-pyrrol-3-yl)-phenylmethanone
PubChem CID15883182
Molecular FormulaC12H11NO
Molecular Weight185.23 g/mol
Exact Mass185.08
IUPAC Name(2-methyl-1H-pyrrol-3-yl)-phenylmethanone
SMILESCc1[nH]ccc1C(=O)c1ccccc1
InChIInChI=1S/C12H11NO/c1-9-11(7-8-13-9)12(14)10-5-3-2-4-6-10/h2-8,13H,1H3
InChIKeyKZTGYMADXBMPLH-UHFFFAOYSA-N
XLogP2.55
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (2-methyl-1H-pyrrol-3-yl)-phenylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-chloro-1H-pyrrol-3-yl)-phenylmethanone
CID 68753347
2-(3-benzoyl-1H-pyrrol-2-yl)acetic acid
CID 86174561
(4-benzoyl-2,5-dimethyl-1H-pyrrol-3-yl)-phenylmethanone
CID 86183747
(5-benzoyl-2,6-dimethyl-3-pyridinyl)-phenylmethanone
CID 827958
diphenylmethanone;ethane
CID 158014879
diphenylmethanone
CID 3102
5-benzoyl-6-methyl-4-oxo-1H-pyridine-3-carboxylic acid
CID 21453648
disodium;diphenylmethanone
CID 19380838
cobalt(2+);diphenylmethanone
CID 19033779
diphenylmethanone;gold
CID 174931146
bis(diphenylmethanone);dihydrochloride
CID 69107757
diphenylmethanone;ethane;toluene
CID 157406780

Frequently Asked Questions

What is the IUPAC name of (2-methyl-1H-pyrrol-3-yl)-phenylmethanone?
The IUPAC name of (2-methyl-1H-pyrrol-3-yl)-phenylmethanone (CID 15883182) is (2-methyl-1H-pyrrol-3-yl)-phenylmethanone.
What is the SMILES notation for (2-methyl-1H-pyrrol-3-yl)-phenylmethanone?
The canonical SMILES for (2-methyl-1H-pyrrol-3-yl)-phenylmethanone is Cc1[nH]ccc1C(=O)c1ccccc1.
What is the InChIKey of (2-methyl-1H-pyrrol-3-yl)-phenylmethanone?
The InChIKey is KZTGYMADXBMPLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO/c1-9-11(7-8-13-9)12(14)10-5-3-2-4-6-10/h2-8,13H,1H3.
What are the key properties of (2-methyl-1H-pyrrol-3-yl)-phenylmethanone?
(2-methyl-1H-pyrrol-3-yl)-phenylmethanone has a molecular weight of 185.23 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1H-pyrrol-3-yl)-phenylmethanone is sourced from PubChem (CID 15883182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).