1'-(2-morpholin-4-ylethyl)spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione;hydrochloride

C19H25ClN2O3 — CID 3057844

IUPAC1'-(2-morpholin-4-ylethyl)spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione;hydrochloride
SMILESCl.O=C1CC2(CCCc3ccccc32)C(=O)N1CCN1CCOCC1
InChIInChI=1S/C19H24N2O3.ClH/c22-17-14-19(7-3-5-15-4-1-2-6-16(15)19)18(23)21(17)9-8-20-10-12-24-13-11-20;/h1-2,4,6H,3,5,7-14H2;1H
InChIKeyLYJGWYKXWZBUJK-UHFFFAOYSA-N
MW364.87 g/mol
LogP1.77
Rot. Bonds3

About 1'-(2-morpholin-4-ylethyl)spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione;hydrochloride

1'-(2-morpholin-4-ylethyl)spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione;hydrochloride (PubChem CID 3057844) has the molecular formula C19H25ClN2O3 and a molecular weight of 364.87 g/mol. Its IUPAC name is 1'-(2-morpholin-4-ylethyl)spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione;hydrochloride.

Molecular Properties

Compound Name1'-(2-morpholin-4-ylethyl)spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione;hydrochloride
PubChem CID3057844
Molecular FormulaC19H25ClN2O3
Molecular Weight364.87 g/mol
Exact Mass364.16
IUPAC Name1'-(2-morpholin-4-ylethyl)spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione;hydrochloride
SMILESCl.O=C1CC2(CCCc3ccccc32)C(=O)N1CCN1CCOCC1
InChIInChI=1S/C19H24N2O3.ClH/c22-17-14-19(7-3-5-15-4-1-2-6-16(15)19)18(23)21(17)9-8-20-10-12-24-13-11-20;/h1-2,4,6H,3,5,7-14H2;1H
InChIKeyLYJGWYKXWZBUJK-UHFFFAOYSA-N
XLogP1.77
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.87
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1'-(2-morpholin-4-ylethyl)spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione;hydrochloride?
The IUPAC name of 1'-(2-morpholin-4-ylethyl)spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione;hydrochloride (CID 3057844) is 1'-(2-morpholin-4-ylethyl)spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione;hydrochloride.
What is the SMILES notation for 1'-(2-morpholin-4-ylethyl)spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione;hydrochloride?
The canonical SMILES for 1'-(2-morpholin-4-ylethyl)spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione;hydrochloride is Cl.O=C1CC2(CCCc3ccccc32)C(=O)N1CCN1CCOCC1.
What is the InChIKey of 1'-(2-morpholin-4-ylethyl)spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione;hydrochloride?
The InChIKey is LYJGWYKXWZBUJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3.ClH/c22-17-14-19(7-3-5-15-4-1-2-6-16(15)19)18(23)21(17)9-8-20-10-12-24-13-11-20;/h1-2,4,6H,3,5,7-14H2;1H.
What are the key properties of 1'-(2-morpholin-4-ylethyl)spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione;hydrochloride?
1'-(2-morpholin-4-ylethyl)spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione;hydrochloride has a molecular weight of 364.87 g/mol, XLogP of 1.77, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(2-morpholin-4-ylethyl)spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione;hydrochloride is sourced from PubChem (CID 3057844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).