1-[3-(dimethylamino)propyl]-3-methylpyrrole-2,5-dione

C10H16N2O2 — CID 43346029

IUPAC1-[3-(dimethylamino)propyl]-3-methylpyrrole-2,5-dione
SMILESCC1=CC(=O)N(CCCN(C)C)C1=O
InChIInChI=1S/C10H16N2O2/c1-8-7-9(13)12(10(8)14)6-4-5-11(2)3/h7H,4-6H2,1-3H3
InChIKeyOUHQBVGXFAGOMU-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.25
Rot. Bonds4

About 1-[3-(dimethylamino)propyl]-3-methylpyrrole-2,5-dione

1-[3-(dimethylamino)propyl]-3-methylpyrrole-2,5-dione (PubChem CID 43346029) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 1-[3-(dimethylamino)propyl]-3-methylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-[3-(dimethylamino)propyl]-3-methylpyrrole-2,5-dione
PubChem CID43346029
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name1-[3-(dimethylamino)propyl]-3-methylpyrrole-2,5-dione
SMILESCC1=CC(=O)N(CCCN(C)C)C1=O
InChIInChI=1S/C10H16N2O2/c1-8-7-9(13)12(10(8)14)6-4-5-11(2)3/h7H,4-6H2,1-3H3
InChIKeyOUHQBVGXFAGOMU-UHFFFAOYSA-N
XLogP0.25
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.25
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-(dimethylamino)propyl]-3-methylpyrrole-2,5-dione?
The IUPAC name of 1-[3-(dimethylamino)propyl]-3-methylpyrrole-2,5-dione (CID 43346029) is 1-[3-(dimethylamino)propyl]-3-methylpyrrole-2,5-dione.
What is the SMILES notation for 1-[3-(dimethylamino)propyl]-3-methylpyrrole-2,5-dione?
The canonical SMILES for 1-[3-(dimethylamino)propyl]-3-methylpyrrole-2,5-dione is CC1=CC(=O)N(CCCN(C)C)C1=O.
What is the InChIKey of 1-[3-(dimethylamino)propyl]-3-methylpyrrole-2,5-dione?
The InChIKey is OUHQBVGXFAGOMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-8-7-9(13)12(10(8)14)6-4-5-11(2)3/h7H,4-6H2,1-3H3.
What are the key properties of 1-[3-(dimethylamino)propyl]-3-methylpyrrole-2,5-dione?
1-[3-(dimethylamino)propyl]-3-methylpyrrole-2,5-dione has a molecular weight of 196.25 g/mol, XLogP of 0.25, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)propyl]-3-methylpyrrole-2,5-dione is sourced from PubChem (CID 43346029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).