ethyl 2-methyl-1-(methylamino)-4-[5-methyl-4-[(3E)-4-methylhexa-1,3,5-trien-3-yl]-1-oxo-2,3-dihydropyrrolo[3,4-c]carbazol-6-yl]cyclopentane-1-carboxylate

C32H37N3O3 — CID 142900277

About ethyl 2-methyl-1-(methylamino)-4-[5-methyl-4-[(3E)-4-methylhexa-1,3,5-trien-3-yl]-1-oxo-2,3-dihydropyrrolo[3,4-c]carbazol-6-yl]cyclopentane-1-carboxylate

ethyl 2-methyl-1-(methylamino)-4-[5-methyl-4-[(3E)-4-methylhexa-1,3,5-trien-3-yl]-1-oxo-2,3-dihydropyrrolo[3,4-c]carbazol-6-yl]cyclopentane-1-carboxylate (PubChem CID 142900277) has the molecular formula C32H37N3O3 and a molecular weight of 511.67 g/mol. Its IUPAC name is ethyl 2-methyl-1-(methylamino)-4-[5-methyl-4-[(3E)-4-methylhexa-1,3,5-trien-3-yl]-1-oxo-2,3-dihydropyrrolo[3,4-c]carbazol-6-yl]cyclopentane-1-carboxylate.

Molecular Properties

• Compound Name: ethyl 2-methyl-1-(methylamino)-4-[5-methyl-4-[(3E)-4-methylhexa-1,3,5-trien-3-yl]-1-oxo-2,3-dihydropyrrolo[3,4-c]carbazol-6-yl]cyclopentane-1-carboxylate
• PubChem CID: 142900277
• Molecular Formula: C32H37N3O3
• Molecular Weight: 511.67 g/mol
• Exact Mass: 511.28
• IUPAC Name: ethyl 2-methyl-1-(methylamino)-4-[5-methyl-4-[(3E)-4-methylhexa-1,3,5-trien-3-yl]-1-oxo-2,3-dihydropyrrolo[3,4-c]carbazol-6-yl]cyclopentane-1-carboxylate
• SMILES: C=C/C(C)=C(\C=C)c1c2c(c3c4ccccc4n(C4CC(C)C(NC)(C(=O)OCC)C4)c3c1C)C(=O)NC2
• InChI: InChI=1S/C32H37N3O3/c1-8-18(4)22(9-2)26-20(6)29-27(28-24(26)17-34-30(28)36)23-13-11-12-14-25(23)35(29)21-15-19(5)32(16-21,33-7)31(37)38-10-3/h8-9,11-14,19,21,33H,1-2,10,15-17H2,3-7H3,(H,34,36)/b22-18+
• InChIKey: RMBFBVPBPYKIHO-RELWKKBWSA-N
• XLogP: 5.98
• TPSA: 72.36 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	511.67
LogP ≤ 5	5.98
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-1-(methylamino)-4-[5-methyl-4-[(3E)-4-methylhexa-1,3,5-trien-3-yl]-1-oxo-2,3-dihydropyrrolo[3,4-c]carbazol-6-yl]cyclopentane-1-carboxylate?

The IUPAC name of ethyl 2-methyl-1-(methylamino)-4-[5-methyl-4-[(3E)-4-methylhexa-1,3,5-trien-3-yl]-1-oxo-2,3-dihydropyrrolo[3,4-c]carbazol-6-yl]cyclopentane-1-carboxylate (CID 142900277) is ethyl 2-methyl-1-(methylamino)-4-[5-methyl-4-[(3E)-4-methylhexa-1,3,5-trien-3-yl]-1-oxo-2,3-dihydropyrrolo[3,4-c]carbazol-6-yl]cyclopentane-1-carboxylate.

What is the SMILES notation for ethyl 2-methyl-1-(methylamino)-4-[5-methyl-4-[(3E)-4-methylhexa-1,3,5-trien-3-yl]-1-oxo-2,3-dihydropyrrolo[3,4-c]carbazol-6-yl]cyclopentane-1-carboxylate?

The canonical SMILES for ethyl 2-methyl-1-(methylamino)-4-[5-methyl-4-[(3E)-4-methylhexa-1,3,5-trien-3-yl]-1-oxo-2,3-dihydropyrrolo[3,4-c]carbazol-6-yl]cyclopentane-1-carboxylate is C=C/C(C)=C(\C=C)c1c2c(c3c4ccccc4n(C4CC(C)C(NC)(C(=O)OCC)C4)c3c1C)C(=O)NC2.

What is the InChIKey of ethyl 2-methyl-1-(methylamino)-4-[5-methyl-4-[(3E)-4-methylhexa-1,3,5-trien-3-yl]-1-oxo-2,3-dihydropyrrolo[3,4-c]carbazol-6-yl]cyclopentane-1-carboxylate?

The InChIKey is RMBFBVPBPYKIHO-RELWKKBWSA-N. The full InChI is InChI=1S/C32H37N3O3/c1-8-18(4)22(9-2)26-20(6)29-27(28-24(26)17-34-30(28)36)23-13-11-12-14-25(23)35(29)21-15-19(5)32(16-21,33-7)31(37)38-10-3/h8-9,11-14,19,21,33H,1-2,10,15-17H2,3-7H3,(H,34,36)/b22-18+.

What are the key properties of ethyl 2-methyl-1-(methylamino)-4-[5-methyl-4-[(3E)-4-methylhexa-1,3,5-trien-3-yl]-1-oxo-2,3-dihydropyrrolo[3,4-c]carbazol-6-yl]cyclopentane-1-carboxylate?

ethyl 2-methyl-1-(methylamino)-4-[5-methyl-4-[(3E)-4-methylhexa-1,3,5-trien-3-yl]-1-oxo-2,3-dihydropyrrolo[3,4-c]carbazol-6-yl]cyclopentane-1-carboxylate has a molecular weight of 511.67 g/mol, XLogP of 5.98, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 2-methyl-1-(methylamino)-4-[5-methyl-4-[(3E)-4-methylhexa-1,3,5-trien-3-yl]-1-oxo-2,3-dihydropyrrolo[3,4-c]carbazol-6-yl]cyclopentane-1-carboxylate is sourced from PubChem (CID 142900277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).