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

C20H19NO — CID 129012334

IUPAC5-[2-(dimethylamino)ethyl]-9bH-indeno[2,1-a]inden-10-one
SMILESCN(C)CCC1=C2c3ccccc3C(=O)C2c2ccccc21
InChIInChI=1S/C20H19NO/c1-21(2)12-11-16-13-7-3-4-8-14(13)19-18(16)15-9-5-6-10-17(15)20(19)22/h3-10,19H,11-12H2,1-2H3
InChIKeyYUODUKORDPLKLQ-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.84
Rot. Bonds3

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

5-[2-(dimethylamino)ethyl]-9bH-indeno[2,1-a]inden-10-one (PubChem CID 129012334) has the molecular formula C20H19NO and a molecular weight of 289.38 g/mol. Its IUPAC name is 5-[2-(dimethylamino)ethyl]-9bH-indeno[2,1-a]inden-10-one.

Molecular Properties

Compound Name5-[2-(dimethylamino)ethyl]-9bH-indeno[2,1-a]inden-10-one
PubChem CID129012334
Molecular FormulaC20H19NO
Molecular Weight289.38 g/mol
Exact Mass289.15
IUPAC Name5-[2-(dimethylamino)ethyl]-9bH-indeno[2,1-a]inden-10-one
SMILESCN(C)CCC1=C2c3ccccc3C(=O)C2c2ccccc21
InChIInChI=1S/C20H19NO/c1-21(2)12-11-16-13-7-3-4-8-14(13)19-18(16)15-9-5-6-10-17(15)20(19)22/h3-10,19H,11-12H2,1-2H3
InChIKeyYUODUKORDPLKLQ-UHFFFAOYSA-N
XLogP3.84
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.84
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)ethyl]-9bH-indeno[2,1-a]inden-10-one?
The IUPAC name of 5-[2-(dimethylamino)ethyl]-9bH-indeno[2,1-a]inden-10-one (CID 129012334) is 5-[2-(dimethylamino)ethyl]-9bH-indeno[2,1-a]inden-10-one.
What is the SMILES notation for 5-[2-(dimethylamino)ethyl]-9bH-indeno[2,1-a]inden-10-one?
The canonical SMILES for 5-[2-(dimethylamino)ethyl]-9bH-indeno[2,1-a]inden-10-one is CN(C)CCC1=C2c3ccccc3C(=O)C2c2ccccc21.
What is the InChIKey of 5-[2-(dimethylamino)ethyl]-9bH-indeno[2,1-a]inden-10-one?
The InChIKey is YUODUKORDPLKLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO/c1-21(2)12-11-16-13-7-3-4-8-14(13)19-18(16)15-9-5-6-10-17(15)20(19)22/h3-10,19H,11-12H2,1-2H3.
What are the key properties of 5-[2-(dimethylamino)ethyl]-9bH-indeno[2,1-a]inden-10-one?
5-[2-(dimethylamino)ethyl]-9bH-indeno[2,1-a]inden-10-one has a molecular weight of 289.38 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(dimethylamino)ethyl]-9bH-indeno[2,1-a]inden-10-one is sourced from PubChem (CID 129012334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).