(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone

C19H31N3O — CID 95301378

About (2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone

(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone (PubChem CID 95301378) has the molecular formula C19H31N3O and a molecular weight of 317.48 g/mol. Its IUPAC name is (2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone.

Molecular Properties

• Compound Name: (2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
• PubChem CID: 95301378
• Molecular Formula: C19H31N3O
• Molecular Weight: 317.48 g/mol
• Exact Mass: 317.25
• IUPAC Name: (2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
• SMILES: Cc1cc(C(=O)N2CCC[C@@H]2[C@H]2CCCN2C)c(C)n1C(C)C
• InChI: InChI=1S/C19H31N3O/c1-13(2)22-14(3)12-16(15(22)4)19(23)21-11-7-9-18(21)17-8-6-10-20(17)5/h12-13,17-18H,6-11H2,1-5H3/t17-,18-/m1/s1
• InChIKey: XQJJNEFLKFVWQZ-QZTJIDSGSA-N
• XLogP: 3.38
• TPSA: 28.48 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	317.48
LogP ≤ 5	3.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone?

The IUPAC name of (2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone (CID 95301378) is (2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone.

What is the SMILES notation for (2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone?

The canonical SMILES for (2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone is Cc1cc(C(=O)N2CCC[C@@H]2[C@H]2CCCN2C)c(C)n1C(C)C.

What is the InChIKey of (2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone?

The InChIKey is XQJJNEFLKFVWQZ-QZTJIDSGSA-N. The full InChI is InChI=1S/C19H31N3O/c1-13(2)22-14(3)12-16(15(22)4)19(23)21-11-7-9-18(21)17-8-6-10-20(17)5/h12-13,17-18H,6-11H2,1-5H3/t17-,18-/m1/s1.

What are the key properties of (2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone?

(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone has a molecular weight of 317.48 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 95301378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).