2-(4-amino-3-methoxyphenyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione

C14H16N2O3 — CID 103980062

IUPAC2-(4-amino-3-methoxyphenyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
SMILESCOc1cc(N2C(=O)C3CCCC3C2=O)ccc1N
InChIInChI=1S/C14H16N2O3/c1-19-12-7-8(5-6-11(12)15)16-13(17)9-3-2-4-10(9)14(16)18/h5-7,9-10H,2-4,15H2,1H3
InChIKeyMJMCTMNVNBIVET-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.57
Rot. Bonds2

About 2-(4-amino-3-methoxyphenyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione

2-(4-amino-3-methoxyphenyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione (PubChem CID 103980062) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 2-(4-amino-3-methoxyphenyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione.

Molecular Properties

Compound Name2-(4-amino-3-methoxyphenyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
PubChem CID103980062
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name2-(4-amino-3-methoxyphenyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
SMILESCOc1cc(N2C(=O)C3CCCC3C2=O)ccc1N
InChIInChI=1S/C14H16N2O3/c1-19-12-7-8(5-6-11(12)15)16-13(17)9-3-2-4-10(9)14(16)18/h5-7,9-10H,2-4,15H2,1H3
InChIKeyMJMCTMNVNBIVET-UHFFFAOYSA-N
XLogP1.57
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_K(2)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

4-(8-azabicyclo[3.2.1]octan-8-yl)-2-methoxyaniline
CID 89065676
2-(3,4-dimethylphenyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 2732797
1-(4-amino-3-methoxyphenyl)-3-methylpyrrole-2,5-dione
CID 61350366
1-(3-amino-4-methoxyphenyl)-3,4-dimethylpyrrolidine-2,5-dione
CID 103499506
2-(2-methoxyphenyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 2847719
2-(2-amino-4-methylphenyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 113361185
1-(4-amino-3-methoxyphenyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione
CID 61350558
2-(4-amino-3-methoxyphenyl)-5-methylisoindole-1,3-dione
CID 61350557
4-(3,4-dimethoxypyrrolidin-1-yl)-2-methoxyaniline
CID 103530677
4-(4-cyclohexylpiperazin-1-yl)-2-methoxyaniline
CID 58608385
1-(4-amino-3-methoxyphenyl)-N,N-dimethylpiperidin-4-amine
CID 57416153
2-(4-iodophenyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 103979615

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3-methoxyphenyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
The IUPAC name of 2-(4-amino-3-methoxyphenyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione (CID 103980062) is 2-(4-amino-3-methoxyphenyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione.
What is the SMILES notation for 2-(4-amino-3-methoxyphenyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
The canonical SMILES for 2-(4-amino-3-methoxyphenyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione is COc1cc(N2C(=O)C3CCCC3C2=O)ccc1N.
What is the InChIKey of 2-(4-amino-3-methoxyphenyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
The InChIKey is MJMCTMNVNBIVET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-19-12-7-8(5-6-11(12)15)16-13(17)9-3-2-4-10(9)14(16)18/h5-7,9-10H,2-4,15H2,1H3.
What are the key properties of 2-(4-amino-3-methoxyphenyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
2-(4-amino-3-methoxyphenyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione has a molecular weight of 260.29 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3-methoxyphenyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione is sourced from PubChem (CID 103980062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).