10-[2-(diethylamino)ethoxy]tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,9,11,13-heptaen-8-one;hydrochloride

C21H24ClNO2 — CID 24837497

IUPAC10-[2-(diethylamino)ethoxy]tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,9,11,13-heptaen-8-one;hydrochloride
SMILESCCN(CC)CCOc1cc(=O)c2ccccc2c2ccccc12.Cl
InChIInChI=1S/C21H23NO2.ClH/c1-3-22(4-2)13-14-24-21-15-20(23)18-11-7-5-9-16(18)17-10-6-8-12-19(17)21;/h5-12,15H,3-4,13-14H2,1-2H3;1H
InChIKeySGUJPSLFAGMWSZ-UHFFFAOYSA-N
MW357.88 g/mol
LogP4.50
Rot. Bonds6

About 10-[2-(diethylamino)ethoxy]tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,9,11,13-heptaen-8-one;hydrochloride

10-[2-(diethylamino)ethoxy]tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,9,11,13-heptaen-8-one;hydrochloride (PubChem CID 24837497) has the molecular formula C21H24ClNO2 and a molecular weight of 357.88 g/mol. Its IUPAC name is 10-[2-(diethylamino)ethoxy]tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,9,11,13-heptaen-8-one;hydrochloride.

Molecular Properties

Compound Name10-[2-(diethylamino)ethoxy]tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,9,11,13-heptaen-8-one;hydrochloride
PubChem CID24837497
Molecular FormulaC21H24ClNO2
Molecular Weight357.88 g/mol
Exact Mass357.15
IUPAC Name10-[2-(diethylamino)ethoxy]tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,9,11,13-heptaen-8-one;hydrochloride
SMILESCCN(CC)CCOc1cc(=O)c2ccccc2c2ccccc12.Cl
InChIInChI=1S/C21H23NO2.ClH/c1-3-22(4-2)13-14-24-21-15-20(23)18-11-7-5-9-16(18)17-10-6-8-12-19(17)21;/h5-12,15H,3-4,13-14H2,1-2H3;1H
InChIKeySGUJPSLFAGMWSZ-UHFFFAOYSA-N
XLogP4.50
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.88
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 10-[2-(diethylamino)ethoxy]tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,9,11,13-heptaen-8-one;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10-[2-(diethylamino)ethoxy]tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,9,11,13-heptaen-8-one;hydrochloride?
The IUPAC name of 10-[2-(diethylamino)ethoxy]tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,9,11,13-heptaen-8-one;hydrochloride (CID 24837497) is 10-[2-(diethylamino)ethoxy]tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,9,11,13-heptaen-8-one;hydrochloride.
What is the SMILES notation for 10-[2-(diethylamino)ethoxy]tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,9,11,13-heptaen-8-one;hydrochloride?
The canonical SMILES for 10-[2-(diethylamino)ethoxy]tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,9,11,13-heptaen-8-one;hydrochloride is CCN(CC)CCOc1cc(=O)c2ccccc2c2ccccc12.Cl.
What is the InChIKey of 10-[2-(diethylamino)ethoxy]tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,9,11,13-heptaen-8-one;hydrochloride?
The InChIKey is SGUJPSLFAGMWSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO2.ClH/c1-3-22(4-2)13-14-24-21-15-20(23)18-11-7-5-9-16(18)17-10-6-8-12-19(17)21;/h5-12,15H,3-4,13-14H2,1-2H3;1H.
What are the key properties of 10-[2-(diethylamino)ethoxy]tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,9,11,13-heptaen-8-one;hydrochloride?
10-[2-(diethylamino)ethoxy]tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,9,11,13-heptaen-8-one;hydrochloride has a molecular weight of 357.88 g/mol, XLogP of 4.50, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[2-(diethylamino)ethoxy]tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,9,11,13-heptaen-8-one;hydrochloride is sourced from PubChem (CID 24837497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).