5-[2-(dimethylamino)propyl]-9bH-indeno[2,1-a]inden-10-one

C21H21NO — CID 129012332

IUPAC5-[2-(dimethylamino)propyl]-9bH-indeno[2,1-a]inden-10-one
SMILESCC(CC1=C2c3ccccc3C(=O)C2c2ccccc21)N(C)C
InChIInChI=1S/C21H21NO/c1-13(22(2)3)12-18-14-8-4-5-9-15(14)20-19(18)16-10-6-7-11-17(16)21(20)23/h4-11,13,20H,12H2,1-3H3
InChIKeyYHNKAIWERURGDX-UHFFFAOYSA-N
MW303.41 g/mol
LogP4.23
Rot. Bonds3

About 5-[2-(dimethylamino)propyl]-9bH-indeno[2,1-a]inden-10-one

5-[2-(dimethylamino)propyl]-9bH-indeno[2,1-a]inden-10-one (PubChem CID 129012332) has the molecular formula C21H21NO and a molecular weight of 303.41 g/mol. Its IUPAC name is 5-[2-(dimethylamino)propyl]-9bH-indeno[2,1-a]inden-10-one.

Molecular Properties

Compound Name5-[2-(dimethylamino)propyl]-9bH-indeno[2,1-a]inden-10-one
PubChem CID129012332
Molecular FormulaC21H21NO
Molecular Weight303.41 g/mol
Exact Mass303.16
IUPAC Name5-[2-(dimethylamino)propyl]-9bH-indeno[2,1-a]inden-10-one
SMILESCC(CC1=C2c3ccccc3C(=O)C2c2ccccc21)N(C)C
InChIInChI=1S/C21H21NO/c1-13(22(2)3)12-18-14-8-4-5-9-15(14)20-19(18)16-10-6-7-11-17(16)21(20)23/h4-11,13,20H,12H2,1-3H3
InChIKeyYHNKAIWERURGDX-UHFFFAOYSA-N
XLogP4.23
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(dimethylamino)propyl]-9bH-indeno[2,1-a]inden-10-one?
The IUPAC name of 5-[2-(dimethylamino)propyl]-9bH-indeno[2,1-a]inden-10-one (CID 129012332) is 5-[2-(dimethylamino)propyl]-9bH-indeno[2,1-a]inden-10-one.
What is the SMILES notation for 5-[2-(dimethylamino)propyl]-9bH-indeno[2,1-a]inden-10-one?
The canonical SMILES for 5-[2-(dimethylamino)propyl]-9bH-indeno[2,1-a]inden-10-one is CC(CC1=C2c3ccccc3C(=O)C2c2ccccc21)N(C)C.
What is the InChIKey of 5-[2-(dimethylamino)propyl]-9bH-indeno[2,1-a]inden-10-one?
The InChIKey is YHNKAIWERURGDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO/c1-13(22(2)3)12-18-14-8-4-5-9-15(14)20-19(18)16-10-6-7-11-17(16)21(20)23/h4-11,13,20H,12H2,1-3H3.
What are the key properties of 5-[2-(dimethylamino)propyl]-9bH-indeno[2,1-a]inden-10-one?
5-[2-(dimethylamino)propyl]-9bH-indeno[2,1-a]inden-10-one has a molecular weight of 303.41 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(dimethylamino)propyl]-9bH-indeno[2,1-a]inden-10-one is sourced from PubChem (CID 129012332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).