1-[2-[(3R)-1-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one

C19H25N5O — CID 129398296

About 1-[2-[(3R)-1-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one

1-[2-[(3R)-1-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one (PubChem CID 129398296) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is 1-[2-[(3R)-1-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one.

Molecular Properties

• Compound Name: 1-[2-[(3R)-1-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one
• PubChem CID: 129398296
• Molecular Formula: C19H25N5O
• Molecular Weight: 339.44 g/mol
• Exact Mass: 339.21
• IUPAC Name: 1-[2-[(3R)-1-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one
• SMILES: CCc1n[nH]c(CN2C[C@H](CCN3CCCC3=O)c3ccccc32)n1
• InChI: InChI=1S/C19H25N5O/c1-2-17-20-18(22-21-17)13-24-12-14(15-6-3-4-7-16(15)24)9-11-23-10-5-8-19(23)25/h3-4,6-7,14H,2,5,8-13H2,1H3,(H,20,21,22)/t14-/m0/s1
• InChIKey: ZCBVKVJXDPGOOD-AWEZNQCLSA-N
• XLogP: 2.48
• TPSA: 65.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	339.44
LogP ≤ 5	2.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3R)-1-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one?

The IUPAC name of 1-[2-[(3R)-1-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one (CID 129398296) is 1-[2-[(3R)-1-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one.

What is the SMILES notation for 1-[2-[(3R)-1-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one?

The canonical SMILES for 1-[2-[(3R)-1-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one is CCc1n[nH]c(CN2C[C@H](CCN3CCCC3=O)c3ccccc32)n1.

What is the InChIKey of 1-[2-[(3R)-1-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one?

The InChIKey is ZCBVKVJXDPGOOD-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H25N5O/c1-2-17-20-18(22-21-17)13-24-12-14(15-6-3-4-7-16(15)24)9-11-23-10-5-8-19(23)25/h3-4,6-7,14H,2,5,8-13H2,1H3,(H,20,21,22)/t14-/m0/s1.

What are the key properties of 1-[2-[(3R)-1-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one?

1-[2-[(3R)-1-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one has a molecular weight of 339.44 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[(3R)-1-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 129398296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).