4-(1-oxoinden-2-yl)-1,2-dihydropyrrol-5-one

C13H9NO2 — CID 171573690

IUPAC4-(1-oxoinden-2-yl)-1,2-dihydropyrrol-5-one
SMILESO=C1NCC=C1C1=Cc2ccccc2C1=O
InChIInChI=1S/C13H9NO2/c15-12-9-4-2-1-3-8(9)7-11(12)10-5-6-14-13(10)16/h1-5,7H,6H2,(H,14,16)
InChIKeyMUTUJJTWIQMVPP-UHFFFAOYSA-N
MW211.22 g/mol
LogP1.32
Rot. Bonds1

About 4-(1-oxoinden-2-yl)-1,2-dihydropyrrol-5-one

4-(1-oxoinden-2-yl)-1,2-dihydropyrrol-5-one (PubChem CID 171573690) has the molecular formula C13H9NO2 and a molecular weight of 211.22 g/mol. Its IUPAC name is 4-(1-oxoinden-2-yl)-1,2-dihydropyrrol-5-one.

Molecular Properties

Compound Name4-(1-oxoinden-2-yl)-1,2-dihydropyrrol-5-one
PubChem CID171573690
Molecular FormulaC13H9NO2
Molecular Weight211.22 g/mol
Exact Mass211.06
IUPAC Name4-(1-oxoinden-2-yl)-1,2-dihydropyrrol-5-one
SMILESO=C1NCC=C1C1=Cc2ccccc2C1=O
InChIInChI=1S/C13H9NO2/c15-12-9-4-2-1-3-8(9)7-11(12)10-5-6-14-13(10)16/h1-5,7H,6H2,(H,14,16)
InChIKeyMUTUJJTWIQMVPP-UHFFFAOYSA-N
XLogP1.32
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(1-oxoinden-2-yl)-1,2-dihydropyrrol-5-one 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-phenylinden-1-one
CID 10878305
2-iodofluoren-1-one
CID 67932951
benzo[a]anthracene-6,12-dione
CID 171714643
phenanthrene-9,10-dione
CID 6763
N-[(1-oxoinden-2-yl)methylidene]formamide
CID 140984070
anthracene-9,10-dione;carbanide;ethane;yttrium
CID 165067148
lithium isoindole-1,3-dione
CID 18764300
2-propan-2-ylsulfanylfluoren-1-one
CID 151307150
17-methylpentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaen-12-one
CID 156787709
anthracene-9,10-dione;platinum(2+);dichloride
CID 174702138
CID 118898551
CID 118898551
4-bromo-2,3-dichlorofluoren-1-one
CID 70377627

Frequently Asked Questions

What is the IUPAC name of 4-(1-oxoinden-2-yl)-1,2-dihydropyrrol-5-one?
The IUPAC name of 4-(1-oxoinden-2-yl)-1,2-dihydropyrrol-5-one (CID 171573690) is 4-(1-oxoinden-2-yl)-1,2-dihydropyrrol-5-one.
What is the SMILES notation for 4-(1-oxoinden-2-yl)-1,2-dihydropyrrol-5-one?
The canonical SMILES for 4-(1-oxoinden-2-yl)-1,2-dihydropyrrol-5-one is O=C1NCC=C1C1=Cc2ccccc2C1=O.
What is the InChIKey of 4-(1-oxoinden-2-yl)-1,2-dihydropyrrol-5-one?
The InChIKey is MUTUJJTWIQMVPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO2/c15-12-9-4-2-1-3-8(9)7-11(12)10-5-6-14-13(10)16/h1-5,7H,6H2,(H,14,16).
What are the key properties of 4-(1-oxoinden-2-yl)-1,2-dihydropyrrol-5-one?
4-(1-oxoinden-2-yl)-1,2-dihydropyrrol-5-one has a molecular weight of 211.22 g/mol, XLogP of 1.32, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-oxoinden-2-yl)-1,2-dihydropyrrol-5-one is sourced from PubChem (CID 171573690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).