1-[2-(ethylaminomethyl)phenyl]pyrrole-2,5-dione

C13H14N2O2 — CID 61349411

IUPAC1-[2-(ethylaminomethyl)phenyl]pyrrole-2,5-dione
SMILESCCNCc1ccccc1N1C(=O)C=CC1=O
InChIInChI=1S/C13H14N2O2/c1-2-14-9-10-5-3-4-6-11(10)15-12(16)7-8-13(15)17/h3-8,14H,2,9H2,1H3
InChIKeyLMSAXDVIZDZCPO-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.23
Rot. Bonds4

About 1-[2-(ethylaminomethyl)phenyl]pyrrole-2,5-dione

1-[2-(ethylaminomethyl)phenyl]pyrrole-2,5-dione (PubChem CID 61349411) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 1-[2-(ethylaminomethyl)phenyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[2-(ethylaminomethyl)phenyl]pyrrole-2,5-dione
PubChem CID61349411
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name1-[2-(ethylaminomethyl)phenyl]pyrrole-2,5-dione
SMILESCCNCc1ccccc1N1C(=O)C=CC1=O
InChIInChI=1S/C13H14N2O2/c1-2-14-9-10-5-3-4-6-11(10)15-12(16)7-8-13(15)17/h3-8,14H,2,9H2,1H3
InChIKeyLMSAXDVIZDZCPO-UHFFFAOYSA-N
XLogP1.23
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.23
H-Bond Donors ≤ 51
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-[2-(ethylaminomethyl)phenyl]pyrrole-2,5-dione?
The IUPAC name of 1-[2-(ethylaminomethyl)phenyl]pyrrole-2,5-dione (CID 61349411) is 1-[2-(ethylaminomethyl)phenyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[2-(ethylaminomethyl)phenyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[2-(ethylaminomethyl)phenyl]pyrrole-2,5-dione is CCNCc1ccccc1N1C(=O)C=CC1=O.
What is the InChIKey of 1-[2-(ethylaminomethyl)phenyl]pyrrole-2,5-dione?
The InChIKey is LMSAXDVIZDZCPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-2-14-9-10-5-3-4-6-11(10)15-12(16)7-8-13(15)17/h3-8,14H,2,9H2,1H3.
What are the key properties of 1-[2-(ethylaminomethyl)phenyl]pyrrole-2,5-dione?
1-[2-(ethylaminomethyl)phenyl]pyrrole-2,5-dione has a molecular weight of 230.27 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(ethylaminomethyl)phenyl]pyrrole-2,5-dione is sourced from PubChem (CID 61349411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).