methyl N-[3-methyl-1-oxo-1-[2-(5-pent-2-en-3-yl-1H-imidazol-2-yl)pyrrolidin-1-yl]butan-2-yl]carbamate

C19H30N4O3 — CID 90933266

About methyl N-[3-methyl-1-oxo-1-[2-(5-pent-2-en-3-yl-1H-imidazol-2-yl)pyrrolidin-1-yl]butan-2-yl]carbamate

methyl N-[3-methyl-1-oxo-1-[2-(5-pent-2-en-3-yl-1H-imidazol-2-yl)pyrrolidin-1-yl]butan-2-yl]carbamate (PubChem CID 90933266) has the molecular formula C19H30N4O3 and a molecular weight of 362.47 g/mol. Its IUPAC name is methyl N-[3-methyl-1-oxo-1-[2-(5-pent-2-en-3-yl-1H-imidazol-2-yl)pyrrolidin-1-yl]butan-2-yl]carbamate.

Molecular Properties

• Compound Name: methyl N-[3-methyl-1-oxo-1-[2-(5-pent-2-en-3-yl-1H-imidazol-2-yl)pyrrolidin-1-yl]butan-2-yl]carbamate
• PubChem CID: 90933266
• Molecular Formula: C19H30N4O3
• Molecular Weight: 362.47 g/mol
• Exact Mass: 362.23
• IUPAC Name: methyl N-[3-methyl-1-oxo-1-[2-(5-pent-2-en-3-yl-1H-imidazol-2-yl)pyrrolidin-1-yl]butan-2-yl]carbamate
• SMILES: CC=C(CC)c1cnc(C2CCCN2C(=O)C(NC(=O)OC)C(C)C)[nH]1
• InChI: InChI=1S/C19H30N4O3/c1-6-13(7-2)14-11-20-17(21-14)15-9-8-10-23(15)18(24)16(12(3)4)22-19(25)26-5/h6,11-12,15-16H,7-10H2,1-5H3,(H,20,21)(H,22,25)
• InChIKey: SXUBYVSYHLJBGH-UHFFFAOYSA-N
• XLogP: 3.27
• TPSA: 87.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	362.47
LogP ≤ 5	3.27
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of methyl N-[3-methyl-1-oxo-1-[2-(5-pent-2-en-3-yl-1H-imidazol-2-yl)pyrrolidin-1-yl]butan-2-yl]carbamate?

The IUPAC name of methyl N-[3-methyl-1-oxo-1-[2-(5-pent-2-en-3-yl-1H-imidazol-2-yl)pyrrolidin-1-yl]butan-2-yl]carbamate (CID 90933266) is methyl N-[3-methyl-1-oxo-1-[2-(5-pent-2-en-3-yl-1H-imidazol-2-yl)pyrrolidin-1-yl]butan-2-yl]carbamate.

What is the SMILES notation for methyl N-[3-methyl-1-oxo-1-[2-(5-pent-2-en-3-yl-1H-imidazol-2-yl)pyrrolidin-1-yl]butan-2-yl]carbamate?

The canonical SMILES for methyl N-[3-methyl-1-oxo-1-[2-(5-pent-2-en-3-yl-1H-imidazol-2-yl)pyrrolidin-1-yl]butan-2-yl]carbamate is CC=C(CC)c1cnc(C2CCCN2C(=O)C(NC(=O)OC)C(C)C)[nH]1.

What is the InChIKey of methyl N-[3-methyl-1-oxo-1-[2-(5-pent-2-en-3-yl-1H-imidazol-2-yl)pyrrolidin-1-yl]butan-2-yl]carbamate?

The InChIKey is SXUBYVSYHLJBGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O3/c1-6-13(7-2)14-11-20-17(21-14)15-9-8-10-23(15)18(24)16(12(3)4)22-19(25)26-5/h6,11-12,15-16H,7-10H2,1-5H3,(H,20,21)(H,22,25).

What are the key properties of methyl N-[3-methyl-1-oxo-1-[2-(5-pent-2-en-3-yl-1H-imidazol-2-yl)pyrrolidin-1-yl]butan-2-yl]carbamate?

methyl N-[3-methyl-1-oxo-1-[2-(5-pent-2-en-3-yl-1H-imidazol-2-yl)pyrrolidin-1-yl]butan-2-yl]carbamate has a molecular weight of 362.47 g/mol, XLogP of 3.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for methyl N-[3-methyl-1-oxo-1-[2-(5-pent-2-en-3-yl-1H-imidazol-2-yl)pyrrolidin-1-yl]butan-2-yl]carbamate is sourced from PubChem (CID 90933266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).