1-[3-(N-methylanilino)propyl]pyrrole-2,5-dione

C14H16N2O2 — CID 19438633

IUPAC1-[3-(N-methylanilino)propyl]pyrrole-2,5-dione
SMILESCN(CCCN1C(=O)C=CC1=O)c1ccccc1
InChIInChI=1S/C14H16N2O2/c1-15(12-6-3-2-4-7-12)10-5-11-16-13(17)8-9-14(16)18/h2-4,6-9H,5,10-11H2,1H3
InChIKeyDBJCHYFZMPMUGF-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.44
Rot. Bonds5

About 1-[3-(N-methylanilino)propyl]pyrrole-2,5-dione

1-[3-(N-methylanilino)propyl]pyrrole-2,5-dione (PubChem CID 19438633) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 1-[3-(N-methylanilino)propyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[3-(N-methylanilino)propyl]pyrrole-2,5-dione
PubChem CID19438633
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name1-[3-(N-methylanilino)propyl]pyrrole-2,5-dione
SMILESCN(CCCN1C(=O)C=CC1=O)c1ccccc1
InChIInChI=1S/C14H16N2O2/c1-15(12-6-3-2-4-7-12)10-5-11-16-13(17)8-9-14(16)18/h2-4,6-9H,5,10-11H2,1H3
InChIKeyDBJCHYFZMPMUGF-UHFFFAOYSA-N
XLogP1.44
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.44
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-(N-methylanilino)propyl]pyrrole-2,5-dione?
The IUPAC name of 1-[3-(N-methylanilino)propyl]pyrrole-2,5-dione (CID 19438633) is 1-[3-(N-methylanilino)propyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[3-(N-methylanilino)propyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[3-(N-methylanilino)propyl]pyrrole-2,5-dione is CN(CCCN1C(=O)C=CC1=O)c1ccccc1.
What is the InChIKey of 1-[3-(N-methylanilino)propyl]pyrrole-2,5-dione?
The InChIKey is DBJCHYFZMPMUGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-15(12-6-3-2-4-7-12)10-5-11-16-13(17)8-9-14(16)18/h2-4,6-9H,5,10-11H2,1H3.
What are the key properties of 1-[3-(N-methylanilino)propyl]pyrrole-2,5-dione?
1-[3-(N-methylanilino)propyl]pyrrole-2,5-dione has a molecular weight of 244.29 g/mol, XLogP of 1.44, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(N-methylanilino)propyl]pyrrole-2,5-dione is sourced from PubChem (CID 19438633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).