2-[4-(dimethylamino)phenyl]indene-1,3-dione

C17H15NO2 — CID 622184

IUPAC2-[4-(dimethylamino)phenyl]indene-1,3-dione
SMILESCN(C)c1ccc(C2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C17H15NO2/c1-18(2)12-9-7-11(8-10-12)15-16(19)13-5-3-4-6-14(13)17(15)20/h3-10,15H,1-2H3
InChIKeyBVXHKFRCTLLFTR-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.92
Rot. Bonds2

About 2-[4-(dimethylamino)phenyl]indene-1,3-dione

2-[4-(dimethylamino)phenyl]indene-1,3-dione (PubChem CID 622184) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[4-(dimethylamino)phenyl]indene-1,3-dione.

Molecular Properties

Compound Name2-[4-(dimethylamino)phenyl]indene-1,3-dione
PubChem CID622184
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Name2-[4-(dimethylamino)phenyl]indene-1,3-dione
SMILESCN(C)c1ccc(C2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C17H15NO2/c1-18(2)12-9-7-11(8-10-12)15-16(19)13-5-3-4-6-14(13)17(15)20/h3-10,15H,1-2H3
InChIKeyBVXHKFRCTLLFTR-UHFFFAOYSA-N
XLogP2.92
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_A(68)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)phenyl]indene-1,3-dione?
The IUPAC name of 2-[4-(dimethylamino)phenyl]indene-1,3-dione (CID 622184) is 2-[4-(dimethylamino)phenyl]indene-1,3-dione.
What is the SMILES notation for 2-[4-(dimethylamino)phenyl]indene-1,3-dione?
The canonical SMILES for 2-[4-(dimethylamino)phenyl]indene-1,3-dione is CN(C)c1ccc(C2C(=O)c3ccccc3C2=O)cc1.
What is the InChIKey of 2-[4-(dimethylamino)phenyl]indene-1,3-dione?
The InChIKey is BVXHKFRCTLLFTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2/c1-18(2)12-9-7-11(8-10-12)15-16(19)13-5-3-4-6-14(13)17(15)20/h3-10,15H,1-2H3.
What are the key properties of 2-[4-(dimethylamino)phenyl]indene-1,3-dione?
2-[4-(dimethylamino)phenyl]indene-1,3-dione has a molecular weight of 265.31 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)phenyl]indene-1,3-dione is sourced from PubChem (CID 622184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).