1-(6,7-dichloro-2-methyl-1-oxo-2-propyl-3H-inden-5-yl)-3-hydroxypyrrole-2,5-dione

C17H15Cl2NO4 — CID 70496767

IUPAC1-(6,7-dichloro-2-methyl-1-oxo-2-propyl-3H-inden-5-yl)-3-hydroxypyrrole-2,5-dione
SMILESCCCC1(C)Cc2cc(N3C(=O)C=C(O)C3=O)c(Cl)c(Cl)c2C1=O
InChIInChI=1S/C17H15Cl2NO4/c1-3-4-17(2)7-8-5-9(13(18)14(19)12(8)15(17)23)20-11(22)6-10(21)16(20)24/h5-6,21H,3-4,7H2,1-2H3
InChIKeyGFTAEHTWOYJCLV-UHFFFAOYSA-N
MW368.22 g/mol
LogP3.85
Rot. Bonds3

About 1-(6,7-dichloro-2-methyl-1-oxo-2-propyl-3H-inden-5-yl)-3-hydroxypyrrole-2,5-dione

1-(6,7-dichloro-2-methyl-1-oxo-2-propyl-3H-inden-5-yl)-3-hydroxypyrrole-2,5-dione (PubChem CID 70496767) has the molecular formula C17H15Cl2NO4 and a molecular weight of 368.22 g/mol. Its IUPAC name is 1-(6,7-dichloro-2-methyl-1-oxo-2-propyl-3H-inden-5-yl)-3-hydroxypyrrole-2,5-dione.

Molecular Properties

Compound Name1-(6,7-dichloro-2-methyl-1-oxo-2-propyl-3H-inden-5-yl)-3-hydroxypyrrole-2,5-dione
PubChem CID70496767
Molecular FormulaC17H15Cl2NO4
Molecular Weight368.22 g/mol
Exact Mass367.04
IUPAC Name1-(6,7-dichloro-2-methyl-1-oxo-2-propyl-3H-inden-5-yl)-3-hydroxypyrrole-2,5-dione
SMILESCCCC1(C)Cc2cc(N3C(=O)C=C(O)C3=O)c(Cl)c(Cl)c2C1=O
InChIInChI=1S/C17H15Cl2NO4/c1-3-4-17(2)7-8-5-9(13(18)14(19)12(8)15(17)23)20-11(22)6-10(21)16(20)24/h5-6,21H,3-4,7H2,1-2H3
InChIKeyGFTAEHTWOYJCLV-UHFFFAOYSA-N
XLogP3.85
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.22
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

6,7-dichloro-2-cyclopentyl-2,3-dihydro-5-(2-hydroxyethylamino)-2-methyl-1H-inden-1-one
CID 13590325
1-(6,7-dichloro-2-methyl-1-oxo-2-propan-2-yl-3H-inden-5-yl)pyrrolidine-2,3,5-trione
CID 53644663
1-(2-butyl-6,7-dichloro-2-cyclopentyl-1-oxo-3H-inden-5-yl)pyrrolidine-2,3,5-trione
CID 53845349
1-(6,7-dichloro-2-cyclopentyl-2-methyl-1-oxo-3H-inden-5-yl)pyrrolidine-2,3,5-trione
CID 54039545
1-(6,7-dichloro-2-methyl-1-oxo-2-phenyl-3H-inden-5-yl)pyrrolidine-2,3,5-trione
CID 54209063
1-(6,7-dichloro-2-methyl-1-oxo-2-propan-2-yl-3H-inden-5-yl)-3-hydroxypyrrole-2,5-dione
CID 70429742
1-(2-butyl-6,7-dichloro-2-cyclopentyl-1-oxo-3H-inden-5-yl)-3-hydroxypyrrole-2,5-dione
CID 70429774
1-(6,7-dichloro-2-methyl-1-oxo-2-phenyl-3H-inden-5-yl)-3-hydroxypyrrole-2,5-dione
CID 70430045
1-(6,7-dichloro-2-cyclopentyl-2-methyl-1-oxo-3H-inden-5-yl)-3-hydroxypyrrole-2,5-dione
CID 70454293
1-[(3R)-3-butan-2-yl-6,7-dichloro-2-cyclopentyl-2-methyl-1-oxo-3H-inden-5-yl]-3-hydroxypyrrole-2,5-dione
CID 70455166

Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dichloro-2-methyl-1-oxo-2-propyl-3H-inden-5-yl)-3-hydroxypyrrole-2,5-dione?
The IUPAC name of 1-(6,7-dichloro-2-methyl-1-oxo-2-propyl-3H-inden-5-yl)-3-hydroxypyrrole-2,5-dione (CID 70496767) is 1-(6,7-dichloro-2-methyl-1-oxo-2-propyl-3H-inden-5-yl)-3-hydroxypyrrole-2,5-dione.
What is the SMILES notation for 1-(6,7-dichloro-2-methyl-1-oxo-2-propyl-3H-inden-5-yl)-3-hydroxypyrrole-2,5-dione?
The canonical SMILES for 1-(6,7-dichloro-2-methyl-1-oxo-2-propyl-3H-inden-5-yl)-3-hydroxypyrrole-2,5-dione is CCCC1(C)Cc2cc(N3C(=O)C=C(O)C3=O)c(Cl)c(Cl)c2C1=O.
What is the InChIKey of 1-(6,7-dichloro-2-methyl-1-oxo-2-propyl-3H-inden-5-yl)-3-hydroxypyrrole-2,5-dione?
The InChIKey is GFTAEHTWOYJCLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2NO4/c1-3-4-17(2)7-8-5-9(13(18)14(19)12(8)15(17)23)20-11(22)6-10(21)16(20)24/h5-6,21H,3-4,7H2,1-2H3.
What are the key properties of 1-(6,7-dichloro-2-methyl-1-oxo-2-propyl-3H-inden-5-yl)-3-hydroxypyrrole-2,5-dione?
1-(6,7-dichloro-2-methyl-1-oxo-2-propyl-3H-inden-5-yl)-3-hydroxypyrrole-2,5-dione has a molecular weight of 368.22 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-dichloro-2-methyl-1-oxo-2-propyl-3H-inden-5-yl)-3-hydroxypyrrole-2,5-dione is sourced from PubChem (CID 70496767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).