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

C21H29ClN2O2 — CID 3057878

IUPAC1'-(4-pyrrolidin-1-ylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione;hydrochloride
SMILESCl.O=C1CC2(CCCc3ccccc32)C(=O)N1CCCCN1CCCC1
InChIInChI=1S/C21H28N2O2.ClH/c24-19-16-21(11-7-9-17-8-1-2-10-18(17)21)20(25)23(19)15-6-5-14-22-12-3-4-13-22;/h1-2,8,10H,3-7,9,11-16H2;1H
InChIKeyRMVOZJZRRMZWLH-UHFFFAOYSA-N
MW376.93 g/mol
LogP3.32
Rot. Bonds5

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

1'-(4-pyrrolidin-1-ylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione;hydrochloride (PubChem CID 3057878) has the molecular formula C21H29ClN2O2 and a molecular weight of 376.93 g/mol. Its IUPAC name is 1'-(4-pyrrolidin-1-ylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione;hydrochloride.

Molecular Properties

Compound Name1'-(4-pyrrolidin-1-ylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione;hydrochloride
PubChem CID3057878
Molecular FormulaC21H29ClN2O2
Molecular Weight376.93 g/mol
Exact Mass376.19
IUPAC Name1'-(4-pyrrolidin-1-ylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione;hydrochloride
SMILESCl.O=C1CC2(CCCc3ccccc32)C(=O)N1CCCCN1CCCC1
InChIInChI=1S/C21H28N2O2.ClH/c24-19-16-21(11-7-9-17-8-1-2-10-18(17)21)20(25)23(19)15-6-5-14-22-12-3-4-13-22;/h1-2,8,10H,3-7,9,11-16H2;1H
InChIKeyRMVOZJZRRMZWLH-UHFFFAOYSA-N
XLogP3.32
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.93
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1'-(4-pyrrolidin-1-ylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione;hydrochloride?
The IUPAC name of 1'-(4-pyrrolidin-1-ylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione;hydrochloride (CID 3057878) is 1'-(4-pyrrolidin-1-ylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione;hydrochloride.
What is the SMILES notation for 1'-(4-pyrrolidin-1-ylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione;hydrochloride?
The canonical SMILES for 1'-(4-pyrrolidin-1-ylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione;hydrochloride is Cl.O=C1CC2(CCCc3ccccc32)C(=O)N1CCCCN1CCCC1.
What is the InChIKey of 1'-(4-pyrrolidin-1-ylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione;hydrochloride?
The InChIKey is RMVOZJZRRMZWLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2.ClH/c24-19-16-21(11-7-9-17-8-1-2-10-18(17)21)20(25)23(19)15-6-5-14-22-12-3-4-13-22;/h1-2,8,10H,3-7,9,11-16H2;1H.
What are the key properties of 1'-(4-pyrrolidin-1-ylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione;hydrochloride?
1'-(4-pyrrolidin-1-ylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione;hydrochloride has a molecular weight of 376.93 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(4-pyrrolidin-1-ylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione;hydrochloride is sourced from PubChem (CID 3057878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).