1'-[3-(dimethylamino)propyl]-7-methoxyspiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione;hydrochloride

C19H27ClN2O3 — CID 3059320

IUPAC1'-[3-(dimethylamino)propyl]-7-methoxyspiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione;hydrochloride
SMILESCOc1ccc2c(c1)CCCC21CC(=O)N(CCCN(C)C)C1=O.Cl
InChIInChI=1S/C19H26N2O3.ClH/c1-20(2)10-5-11-21-17(22)13-19(18(21)23)9-4-6-14-12-15(24-3)7-8-16(14)19;/h7-8,12H,4-6,9-11,13H2,1-3H3;1H
InChIKeyFOLVZJMPERHZJR-UHFFFAOYSA-N
MW366.89 g/mol
LogP2.40
Rot. Bonds5

About 1'-[3-(dimethylamino)propyl]-7-methoxyspiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione;hydrochloride

1'-[3-(dimethylamino)propyl]-7-methoxyspiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione;hydrochloride (PubChem CID 3059320) has the molecular formula C19H27ClN2O3 and a molecular weight of 366.89 g/mol. Its IUPAC name is 1'-[3-(dimethylamino)propyl]-7-methoxyspiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione;hydrochloride.

Molecular Properties

Compound Name1'-[3-(dimethylamino)propyl]-7-methoxyspiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione;hydrochloride
PubChem CID3059320
Molecular FormulaC19H27ClN2O3
Molecular Weight366.89 g/mol
Exact Mass366.17
IUPAC Name1'-[3-(dimethylamino)propyl]-7-methoxyspiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione;hydrochloride
SMILESCOc1ccc2c(c1)CCCC21CC(=O)N(CCCN(C)C)C1=O.Cl
InChIInChI=1S/C19H26N2O3.ClH/c1-20(2)10-5-11-21-17(22)13-19(18(21)23)9-4-6-14-12-15(24-3)7-8-16(14)19;/h7-8,12H,4-6,9-11,13H2,1-3H3;1H
InChIKeyFOLVZJMPERHZJR-UHFFFAOYSA-N
XLogP2.40
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.89
LogP ≤ 52.40
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'-[3-(dimethylamino)propyl]-7-methoxyspiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione;hydrochloride?
The IUPAC name of 1'-[3-(dimethylamino)propyl]-7-methoxyspiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione;hydrochloride (CID 3059320) is 1'-[3-(dimethylamino)propyl]-7-methoxyspiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione;hydrochloride.
What is the SMILES notation for 1'-[3-(dimethylamino)propyl]-7-methoxyspiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione;hydrochloride?
The canonical SMILES for 1'-[3-(dimethylamino)propyl]-7-methoxyspiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione;hydrochloride is COc1ccc2c(c1)CCCC21CC(=O)N(CCCN(C)C)C1=O.Cl.
What is the InChIKey of 1'-[3-(dimethylamino)propyl]-7-methoxyspiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione;hydrochloride?
The InChIKey is FOLVZJMPERHZJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3.ClH/c1-20(2)10-5-11-21-17(22)13-19(18(21)23)9-4-6-14-12-15(24-3)7-8-16(14)19;/h7-8,12H,4-6,9-11,13H2,1-3H3;1H.
What are the key properties of 1'-[3-(dimethylamino)propyl]-7-methoxyspiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione;hydrochloride?
1'-[3-(dimethylamino)propyl]-7-methoxyspiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione;hydrochloride has a molecular weight of 366.89 g/mol, XLogP of 2.40, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[3-(dimethylamino)propyl]-7-methoxyspiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione;hydrochloride is sourced from PubChem (CID 3059320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).