6,6-dimethyl-3-(2-methylpropanoyl)-N-[1-(2-oxopyrrolidin-3-yl)but-3-yn-2-yl]-3-azabicyclo[3.1.0]hexane-2-carboxamide;molecular hydrogen

C20H33N3O3 — CID 167651046

About 6,6-dimethyl-3-(2-methylpropanoyl)-N-[1-(2-oxopyrrolidin-3-yl)but-3-yn-2-yl]-3-azabicyclo[3.1.0]hexane-2-carboxamide;molecular hydrogen

6,6-dimethyl-3-(2-methylpropanoyl)-N-[1-(2-oxopyrrolidin-3-yl)but-3-yn-2-yl]-3-azabicyclo[3.1.0]hexane-2-carboxamide;molecular hydrogen (PubChem CID 167651046) has the molecular formula C20H33N3O3 and a molecular weight of 363.50 g/mol. Its IUPAC name is 6,6-dimethyl-3-(2-methylpropanoyl)-N-[1-(2-oxopyrrolidin-3-yl)but-3-yn-2-yl]-3-azabicyclo[3.1.0]hexane-2-carboxamide;molecular hydrogen.

Molecular Properties

• Compound Name: 6,6-dimethyl-3-(2-methylpropanoyl)-N-[1-(2-oxopyrrolidin-3-yl)but-3-yn-2-yl]-3-azabicyclo[3.1.0]hexane-2-carboxamide;molecular hydrogen
• PubChem CID: 167651046
• Molecular Formula: C20H33N3O3
• Molecular Weight: 363.50 g/mol
• Exact Mass: 363.25
• IUPAC Name: 6,6-dimethyl-3-(2-methylpropanoyl)-N-[1-(2-oxopyrrolidin-3-yl)but-3-yn-2-yl]-3-azabicyclo[3.1.0]hexane-2-carboxamide;molecular hydrogen
• SMILES: C#CC(CC1CCNC1=O)NC(=O)C1C2C(CN1C(=O)C(C)C)C2(C)C.[H][H].[H][H]
• InChI: InChI=1S/C20H29N3O3.2H2/c1-6-13(9-12-7-8-21-17(12)24)22-18(25)16-15-14(20(15,4)5)10-23(16)19(26)11(2)3;;/h1,11-16H,7-10H2,2-5H3,(H,21,24)(H,22,25);2*1H
• InChIKey: QOVXHKHACTWSGW-UHFFFAOYSA-N
• XLogP: 1.26
• TPSA: 78.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	363.50
LogP ≤ 5	1.26
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-3-(2-methylpropanoyl)-N-[1-(2-oxopyrrolidin-3-yl)but-3-yn-2-yl]-3-azabicyclo[3.1.0]hexane-2-carboxamide;molecular hydrogen?

The IUPAC name of 6,6-dimethyl-3-(2-methylpropanoyl)-N-[1-(2-oxopyrrolidin-3-yl)but-3-yn-2-yl]-3-azabicyclo[3.1.0]hexane-2-carboxamide;molecular hydrogen (CID 167651046) is 6,6-dimethyl-3-(2-methylpropanoyl)-N-[1-(2-oxopyrrolidin-3-yl)but-3-yn-2-yl]-3-azabicyclo[3.1.0]hexane-2-carboxamide;molecular hydrogen.

What is the SMILES notation for 6,6-dimethyl-3-(2-methylpropanoyl)-N-[1-(2-oxopyrrolidin-3-yl)but-3-yn-2-yl]-3-azabicyclo[3.1.0]hexane-2-carboxamide;molecular hydrogen?

The canonical SMILES for 6,6-dimethyl-3-(2-methylpropanoyl)-N-[1-(2-oxopyrrolidin-3-yl)but-3-yn-2-yl]-3-azabicyclo[3.1.0]hexane-2-carboxamide;molecular hydrogen is C#CC(CC1CCNC1=O)NC(=O)C1C2C(CN1C(=O)C(C)C)C2(C)C.[H][H].[H][H].

What is the InChIKey of 6,6-dimethyl-3-(2-methylpropanoyl)-N-[1-(2-oxopyrrolidin-3-yl)but-3-yn-2-yl]-3-azabicyclo[3.1.0]hexane-2-carboxamide;molecular hydrogen?

The InChIKey is QOVXHKHACTWSGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3.2H2/c1-6-13(9-12-7-8-21-17(12)24)22-18(25)16-15-14(20(15,4)5)10-23(16)19(26)11(2)3;;/h1,11-16H,7-10H2,2-5H3,(H,21,24)(H,22,25);2*1H.

What are the key properties of 6,6-dimethyl-3-(2-methylpropanoyl)-N-[1-(2-oxopyrrolidin-3-yl)but-3-yn-2-yl]-3-azabicyclo[3.1.0]hexane-2-carboxamide;molecular hydrogen?

6,6-dimethyl-3-(2-methylpropanoyl)-N-[1-(2-oxopyrrolidin-3-yl)but-3-yn-2-yl]-3-azabicyclo[3.1.0]hexane-2-carboxamide;molecular hydrogen has a molecular weight of 363.50 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 6,6-dimethyl-3-(2-methylpropanoyl)-N-[1-(2-oxopyrrolidin-3-yl)but-3-yn-2-yl]-3-azabicyclo[3.1.0]hexane-2-carboxamide;molecular hydrogen is sourced from PubChem (CID 167651046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).