1'-[4-(dimethylamino)butyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione

C19H26N2O2 — CID 3057875

IUPAC1'-[4-(dimethylamino)butyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione
SMILESCN(C)CCCCN1C(=O)CC2(CCCc3ccccc32)C1=O
InChIInChI=1S/C19H26N2O2/c1-20(2)12-5-6-13-21-17(22)14-19(18(21)23)11-7-9-15-8-3-4-10-16(15)19/h3-4,8,10H,5-7,9,11-14H2,1-2H3
InChIKeyLYVWFWOKUUHFJT-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.36
Rot. Bonds5

About 1'-[4-(dimethylamino)butyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione

1'-[4-(dimethylamino)butyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione (PubChem CID 3057875) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is 1'-[4-(dimethylamino)butyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione.

Molecular Properties

Compound Name1'-[4-(dimethylamino)butyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione
PubChem CID3057875
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name1'-[4-(dimethylamino)butyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione
SMILESCN(C)CCCCN1C(=O)CC2(CCCc3ccccc32)C1=O
InChIInChI=1S/C19H26N2O2/c1-20(2)12-5-6-13-21-17(22)14-19(18(21)23)11-7-9-15-8-3-4-10-16(15)19/h3-4,8,10H,5-7,9,11-14H2,1-2H3
InChIKeyLYVWFWOKUUHFJT-UHFFFAOYSA-N
XLogP2.36
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.36
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-(dimethylamino)butyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione?
The IUPAC name of 1'-[4-(dimethylamino)butyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione (CID 3057875) is 1'-[4-(dimethylamino)butyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione.
What is the SMILES notation for 1'-[4-(dimethylamino)butyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione?
The canonical SMILES for 1'-[4-(dimethylamino)butyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione is CN(C)CCCCN1C(=O)CC2(CCCc3ccccc32)C1=O.
What is the InChIKey of 1'-[4-(dimethylamino)butyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione?
The InChIKey is LYVWFWOKUUHFJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-20(2)12-5-6-13-21-17(22)14-19(18(21)23)11-7-9-15-8-3-4-10-16(15)19/h3-4,8,10H,5-7,9,11-14H2,1-2H3.
What are the key properties of 1'-[4-(dimethylamino)butyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione?
1'-[4-(dimethylamino)butyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione has a molecular weight of 314.43 g/mol, XLogP of 2.36, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[4-(dimethylamino)butyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione is sourced from PubChem (CID 3057875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).