2-(diethylamino)ethyl 2-cyclopent-2-en-1-yl-2-(2,3-dihydro-1H-inden-1-yl)acetate

C22H31NO2 — CID 3051124

IUPAC2-(diethylamino)ethyl 2-cyclopent-2-en-1-yl-2-(2,3-dihydro-1H-inden-1-yl)acetate
SMILESCCN(CC)CCOC(=O)C(C1C=CCC1)C1CCc2ccccc21
InChIInChI=1S/C22H31NO2/c1-3-23(4-2)15-16-25-22(24)21(18-10-5-6-11-18)20-14-13-17-9-7-8-12-19(17)20/h5,7-10,12,18,20-21H,3-4,6,11,13-16H2,1-2H3
InChIKeyARQVMMOJPKVAMG-UHFFFAOYSA-N
MW341.50 g/mol
LogP4.18
Rot. Bonds8

About 2-(diethylamino)ethyl 2-cyclopent-2-en-1-yl-2-(2,3-dihydro-1H-inden-1-yl)acetate

2-(diethylamino)ethyl 2-cyclopent-2-en-1-yl-2-(2,3-dihydro-1H-inden-1-yl)acetate (PubChem CID 3051124) has the molecular formula C22H31NO2 and a molecular weight of 341.50 g/mol. Its IUPAC name is 2-(diethylamino)ethyl 2-cyclopent-2-en-1-yl-2-(2,3-dihydro-1H-inden-1-yl)acetate.

Molecular Properties

Compound Name2-(diethylamino)ethyl 2-cyclopent-2-en-1-yl-2-(2,3-dihydro-1H-inden-1-yl)acetate
PubChem CID3051124
Molecular FormulaC22H31NO2
Molecular Weight341.50 g/mol
Exact Mass341.24
IUPAC Name2-(diethylamino)ethyl 2-cyclopent-2-en-1-yl-2-(2,3-dihydro-1H-inden-1-yl)acetate
SMILESCCN(CC)CCOC(=O)C(C1C=CCC1)C1CCc2ccccc21
InChIInChI=1S/C22H31NO2/c1-3-23(4-2)15-16-25-22(24)21(18-10-5-6-11-18)20-14-13-17-9-7-8-12-19(17)20/h5,7-10,12,18,20-21H,3-4,6,11,13-16H2,1-2H3
InChIKeyARQVMMOJPKVAMG-UHFFFAOYSA-N
XLogP4.18
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.50
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)ethyl 2-cyclopent-2-en-1-yl-2-(2,3-dihydro-1H-inden-1-yl)acetate?
The IUPAC name of 2-(diethylamino)ethyl 2-cyclopent-2-en-1-yl-2-(2,3-dihydro-1H-inden-1-yl)acetate (CID 3051124) is 2-(diethylamino)ethyl 2-cyclopent-2-en-1-yl-2-(2,3-dihydro-1H-inden-1-yl)acetate.
What is the SMILES notation for 2-(diethylamino)ethyl 2-cyclopent-2-en-1-yl-2-(2,3-dihydro-1H-inden-1-yl)acetate?
The canonical SMILES for 2-(diethylamino)ethyl 2-cyclopent-2-en-1-yl-2-(2,3-dihydro-1H-inden-1-yl)acetate is CCN(CC)CCOC(=O)C(C1C=CCC1)C1CCc2ccccc21.
What is the InChIKey of 2-(diethylamino)ethyl 2-cyclopent-2-en-1-yl-2-(2,3-dihydro-1H-inden-1-yl)acetate?
The InChIKey is ARQVMMOJPKVAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31NO2/c1-3-23(4-2)15-16-25-22(24)21(18-10-5-6-11-18)20-14-13-17-9-7-8-12-19(17)20/h5,7-10,12,18,20-21H,3-4,6,11,13-16H2,1-2H3.
What are the key properties of 2-(diethylamino)ethyl 2-cyclopent-2-en-1-yl-2-(2,3-dihydro-1H-inden-1-yl)acetate?
2-(diethylamino)ethyl 2-cyclopent-2-en-1-yl-2-(2,3-dihydro-1H-inden-1-yl)acetate has a molecular weight of 341.50 g/mol, XLogP of 4.18, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)ethyl 2-cyclopent-2-en-1-yl-2-(2,3-dihydro-1H-inden-1-yl)acetate is sourced from PubChem (CID 3051124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).