1-[2-(aminomethyl)phenyl]pyrrole-2,5-dione;2-methylprop-1-ene

C15H18N2O2 — CID 174462564

IUPAC1-[2-(aminomethyl)phenyl]pyrrole-2,5-dione;2-methylprop-1-ene
SMILESC=C(C)C.NCc1ccccc1N1C(=O)C=CC1=O
InChIInChI=1S/C11H10N2O2.C4H8/c12-7-8-3-1-2-4-9(8)13-10(14)5-6-11(13)15;1-4(2)3/h1-6H,7,12H2;1H2,2-3H3
InChIKeyJMPVOAZKIARLPM-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.16
Rot. Bonds2

About 1-[2-(aminomethyl)phenyl]pyrrole-2,5-dione;2-methylprop-1-ene

1-[2-(aminomethyl)phenyl]pyrrole-2,5-dione;2-methylprop-1-ene (PubChem CID 174462564) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-[2-(aminomethyl)phenyl]pyrrole-2,5-dione;2-methylprop-1-ene.

Molecular Properties

Compound Name1-[2-(aminomethyl)phenyl]pyrrole-2,5-dione;2-methylprop-1-ene
PubChem CID174462564
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name1-[2-(aminomethyl)phenyl]pyrrole-2,5-dione;2-methylprop-1-ene
SMILESC=C(C)C.NCc1ccccc1N1C(=O)C=CC1=O
InChIInChI=1S/C11H10N2O2.C4H8/c12-7-8-3-1-2-4-9(8)13-10(14)5-6-11(13)15;1-4(2)3/h1-6H,7,12H2;1H2,2-3H3
InChIKeyJMPVOAZKIARLPM-UHFFFAOYSA-N
XLogP2.16
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)phenyl]pyrrole-2,5-dione;2-methylprop-1-ene?
The IUPAC name of 1-[2-(aminomethyl)phenyl]pyrrole-2,5-dione;2-methylprop-1-ene (CID 174462564) is 1-[2-(aminomethyl)phenyl]pyrrole-2,5-dione;2-methylprop-1-ene.
What is the SMILES notation for 1-[2-(aminomethyl)phenyl]pyrrole-2,5-dione;2-methylprop-1-ene?
The canonical SMILES for 1-[2-(aminomethyl)phenyl]pyrrole-2,5-dione;2-methylprop-1-ene is C=C(C)C.NCc1ccccc1N1C(=O)C=CC1=O.
What is the InChIKey of 1-[2-(aminomethyl)phenyl]pyrrole-2,5-dione;2-methylprop-1-ene?
The InChIKey is JMPVOAZKIARLPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2.C4H8/c12-7-8-3-1-2-4-9(8)13-10(14)5-6-11(13)15;1-4(2)3/h1-6H,7,12H2;1H2,2-3H3.
What are the key properties of 1-[2-(aminomethyl)phenyl]pyrrole-2,5-dione;2-methylprop-1-ene?
1-[2-(aminomethyl)phenyl]pyrrole-2,5-dione;2-methylprop-1-ene has a molecular weight of 258.32 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)phenyl]pyrrole-2,5-dione;2-methylprop-1-ene is sourced from PubChem (CID 174462564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).