(2,5-dioxopyrrolidin-1-yl) N-[[1-(methylamino)cyclohexyl]methyl]carbamate;(2,5-dioxopyrrolidin-1-yl) N-[[1-(methylamino)cyclopentyl]methyl]carbamate;(2,5-dioxopyrrolidin-1-yl) N-[[2-(methylamino)-1,3-dihydroinden-2-yl]methyl]carbamate

C41H59N9O12 — CID 159077913

About (2,5-dioxopyrrolidin-1-yl) N-[[1-(methylamino)cyclohexyl]methyl]carbamate;(2,5-dioxopyrrolidin-1-yl) N-[[1-(methylamino)cyclopentyl]methyl]carbamate;(2,5-dioxopyrrolidin-1-yl) N-[[2-(methylamino)-1,3-dihydroinden-2-yl]methyl]carbamate

(2,5-dioxopyrrolidin-1-yl) N-[[1-(methylamino)cyclohexyl]methyl]carbamate;(2,5-dioxopyrrolidin-1-yl) N-[[1-(methylamino)cyclopentyl]methyl]carbamate;(2,5-dioxopyrrolidin-1-yl) N-[[2-(methylamino)-1,3-dihydroinden-2-yl]methyl]carbamate (PubChem CID 159077913) has the molecular formula C41H59N9O12 and a molecular weight of 869.97 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) N-[[1-(methylamino)cyclohexyl]methyl]carbamate;(2,5-dioxopyrrolidin-1-yl) N-[[1-(methylamino)cyclopentyl]methyl]carbamate;(2,5-dioxopyrrolidin-1-yl) N-[[2-(methylamino)-1,3-dihydroinden-2-yl]methyl]carbamate.

Molecular Properties

• Compound Name: (2,5-dioxopyrrolidin-1-yl) N-[[1-(methylamino)cyclohexyl]methyl]carbamate;(2,5-dioxopyrrolidin-1-yl) N-[[1-(methylamino)cyclopentyl]methyl]carbamate;(2,5-dioxopyrrolidin-1-yl) N-[[2-(methylamino)-1,3-dihydroinden-2-yl]methyl]carbamate
• PubChem CID: 159077913
• Molecular Formula: C41H59N9O12
• Molecular Weight: 869.97 g/mol
• Exact Mass: 869.43
• IUPAC Name: (2,5-dioxopyrrolidin-1-yl) N-[[1-(methylamino)cyclohexyl]methyl]carbamate;(2,5-dioxopyrrolidin-1-yl) N-[[1-(methylamino)cyclopentyl]methyl]carbamate;(2,5-dioxopyrrolidin-1-yl) N-[[2-(methylamino)-1,3-dihydroinden-2-yl]methyl]carbamate
• SMILES: CNC1(CNC(=O)ON2C(=O)CCC2=O)CCCC1.CNC1(CNC(=O)ON2C(=O)CCC2=O)CCCCC1.CNC1(CNC(=O)ON2C(=O)CCC2=O)Cc2ccccc2C1
• InChI: InChI=1S/C16H19N3O4.C13H21N3O4.C12H19N3O4/c1-17-16(8-11-4-2-3-5-12(11)9-16)10-18-15(22)23-19-13(20)6-7-14(19)21;1-14-13(7-3-2-4-8-13)9-15-12(19)20-16-10(17)5-6-11(16)18;1-13-12(6-2-3-7-12)8-14-11(18)19-15-9(16)4-5-10(15)17/h2-5,17H,6-10H2,1H3,(H,18,22);14H,2-9H2,1H3,(H,15,19);13H,2-8H2,1H3,(H,14,18)
• InChIKey: KAMCYCKKCGMABG-UHFFFAOYSA-N
• XLogP: 1.54
• TPSA: 263.22 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 15
• Rotatable Bonds: 12
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	869.97
LogP ≤ 5	1.54
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) N-[[1-(methylamino)cyclohexyl]methyl]carbamate;(2,5-dioxopyrrolidin-1-yl) N-[[1-(methylamino)cyclopentyl]methyl]carbamate;(2,5-dioxopyrrolidin-1-yl) N-[[2-(methylamino)-1,3-dihydroinden-2-yl]methyl]carbamate?

The IUPAC name of (2,5-dioxopyrrolidin-1-yl) N-[[1-(methylamino)cyclohexyl]methyl]carbamate;(2,5-dioxopyrrolidin-1-yl) N-[[1-(methylamino)cyclopentyl]methyl]carbamate;(2,5-dioxopyrrolidin-1-yl) N-[[2-(methylamino)-1,3-dihydroinden-2-yl]methyl]carbamate (CID 159077913) is (2,5-dioxopyrrolidin-1-yl) N-[[1-(methylamino)cyclohexyl]methyl]carbamate;(2,5-dioxopyrrolidin-1-yl) N-[[1-(methylamino)cyclopentyl]methyl]carbamate;(2,5-dioxopyrrolidin-1-yl) N-[[2-(methylamino)-1,3-dihydroinden-2-yl]methyl]carbamate.

What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) N-[[1-(methylamino)cyclohexyl]methyl]carbamate;(2,5-dioxopyrrolidin-1-yl) N-[[1-(methylamino)cyclopentyl]methyl]carbamate;(2,5-dioxopyrrolidin-1-yl) N-[[2-(methylamino)-1,3-dihydroinden-2-yl]methyl]carbamate?

The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) N-[[1-(methylamino)cyclohexyl]methyl]carbamate;(2,5-dioxopyrrolidin-1-yl) N-[[1-(methylamino)cyclopentyl]methyl]carbamate;(2,5-dioxopyrrolidin-1-yl) N-[[2-(methylamino)-1,3-dihydroinden-2-yl]methyl]carbamate is CNC1(CNC(=O)ON2C(=O)CCC2=O)CCCC1.CNC1(CNC(=O)ON2C(=O)CCC2=O)CCCCC1.CNC1(CNC(=O)ON2C(=O)CCC2=O)Cc2ccccc2C1.

What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) N-[[1-(methylamino)cyclohexyl]methyl]carbamate;(2,5-dioxopyrrolidin-1-yl) N-[[1-(methylamino)cyclopentyl]methyl]carbamate;(2,5-dioxopyrrolidin-1-yl) N-[[2-(methylamino)-1,3-dihydroinden-2-yl]methyl]carbamate?

The InChIKey is KAMCYCKKCGMABG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4.C13H21N3O4.C12H19N3O4/c1-17-16(8-11-4-2-3-5-12(11)9-16)10-18-15(22)23-19-13(20)6-7-14(19)21;1-14-13(7-3-2-4-8-13)9-15-12(19)20-16-10(17)5-6-11(16)18;1-13-12(6-2-3-7-12)8-14-11(18)19-15-9(16)4-5-10(15)17/h2-5,17H,6-10H2,1H3,(H,18,22);14H,2-9H2,1H3,(H,15,19);13H,2-8H2,1H3,(H,14,18).

What are the key properties of (2,5-dioxopyrrolidin-1-yl) N-[[1-(methylamino)cyclohexyl]methyl]carbamate;(2,5-dioxopyrrolidin-1-yl) N-[[1-(methylamino)cyclopentyl]methyl]carbamate;(2,5-dioxopyrrolidin-1-yl) N-[[2-(methylamino)-1,3-dihydroinden-2-yl]methyl]carbamate?

(2,5-dioxopyrrolidin-1-yl) N-[[1-(methylamino)cyclohexyl]methyl]carbamate;(2,5-dioxopyrrolidin-1-yl) N-[[1-(methylamino)cyclopentyl]methyl]carbamate;(2,5-dioxopyrrolidin-1-yl) N-[[2-(methylamino)-1,3-dihydroinden-2-yl]methyl]carbamate has a molecular weight of 869.97 g/mol, XLogP of 1.54, 12 rotatable bonds, 6 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for (2,5-dioxopyrrolidin-1-yl) N-[[1-(methylamino)cyclohexyl]methyl]carbamate;(2,5-dioxopyrrolidin-1-yl) N-[[1-(methylamino)cyclopentyl]methyl]carbamate;(2,5-dioxopyrrolidin-1-yl) N-[[2-(methylamino)-1,3-dihydroinden-2-yl]methyl]carbamate is sourced from PubChem (CID 159077913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).