1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)pyrrolidine-2,5-dione

C14H16N2O2 — CID 685632

IUPAC1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1CN1CCc2ccccc2C1
InChIInChI=1S/C14H16N2O2/c17-13-5-6-14(18)16(13)10-15-8-7-11-3-1-2-4-12(11)9-15/h1-4H,5-10H2
InChIKeyFTMAYTLLZJHDEK-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.15
Rot. Bonds2

About 1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)pyrrolidine-2,5-dione

1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)pyrrolidine-2,5-dione (PubChem CID 685632) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)pyrrolidine-2,5-dione
PubChem CID685632
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1CN1CCc2ccccc2C1
InChIInChI=1S/C14H16N2O2/c17-13-5-6-14(18)16(13)10-15-8-7-11-3-1-2-4-12(11)9-15/h1-4H,5-10H2
InChIKeyFTMAYTLLZJHDEK-UHFFFAOYSA-N
XLogP1.15
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)pyrrolidine-2,5-dione?
The IUPAC name of 1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)pyrrolidine-2,5-dione (CID 685632) is 1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)pyrrolidine-2,5-dione is O=C1CCC(=O)N1CN1CCc2ccccc2C1.
What is the InChIKey of 1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)pyrrolidine-2,5-dione?
The InChIKey is FTMAYTLLZJHDEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c17-13-5-6-14(18)16(13)10-15-8-7-11-3-1-2-4-12(11)9-15/h1-4H,5-10H2.
What are the key properties of 1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)pyrrolidine-2,5-dione?
1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)pyrrolidine-2,5-dione has a molecular weight of 244.29 g/mol, XLogP of 1.15, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 685632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).