N-[1-cyano-2-(5-oxo-4-azaspiro[2.4]heptan-6-yl)ethyl]formamide;N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]formamide;1-methoxy-1-(trifluoromethyl)cyclobutane;2-methylpropane

C30H48F3N5O5 — CID 167481665

About N-[1-cyano-2-(5-oxo-4-azaspiro[2.4]heptan-6-yl)ethyl]formamide;N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]formamide;1-methoxy-1-(trifluoromethyl)cyclobutane;2-methylpropane

N-[1-cyano-2-(5-oxo-4-azaspiro[2.4]heptan-6-yl)ethyl]formamide;N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]formamide;1-methoxy-1-(trifluoromethyl)cyclobutane;2-methylpropane (PubChem CID 167481665) has the molecular formula C30H48F3N5O5 and a molecular weight of 615.74 g/mol. Its IUPAC name is N-[1-cyano-2-(5-oxo-4-azaspiro[2.4]heptan-6-yl)ethyl]formamide;N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]formamide;1-methoxy-1-(trifluoromethyl)cyclobutane;2-methylpropane.

Molecular Properties

• Compound Name: N-[1-cyano-2-(5-oxo-4-azaspiro[2.4]heptan-6-yl)ethyl]formamide;N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]formamide;1-methoxy-1-(trifluoromethyl)cyclobutane;2-methylpropane
• PubChem CID: 167481665
• Molecular Formula: C30H48F3N5O5
• Molecular Weight: 615.74 g/mol
• Exact Mass: 615.36
• IUPAC Name: N-[1-cyano-2-(5-oxo-4-azaspiro[2.4]heptan-6-yl)ethyl]formamide;N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]formamide;1-methoxy-1-(trifluoromethyl)cyclobutane;2-methylpropane
• SMILES: CC(C)C.CC1(C)C2CN(C(=O)CNC=O)CC21.COC1(C(F)(F)F)CCC1.N#CC(CC1CC2(CC2)NC1=O)NC=O
• InChI: InChI=1S/C10H13N3O2.C10H16N2O2.C6H9F3O.C4H10/c11-5-8(12-6-14)3-7-4-10(1-2-10)13-9(7)15;1-10(2)7-4-12(5-8(7)10)9(14)3-11-6-13;1-10-5(3-2-4-5)6(7,8)9;1-4(2)3/h6-8H,1-4H2,(H,12,14)(H,13,15);6-8H,3-5H2,1-2H3,(H,11,13);2-4H2,1H3;4H,1-3H3
• InChIKey: MREWQHHKRKMSEJ-UHFFFAOYSA-N
• XLogP: 3.31
• TPSA: 140.63 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	615.74
LogP ≤ 5	3.31
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[1-cyano-2-(5-oxo-4-azaspiro[2.4]heptan-6-yl)ethyl]formamide;N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]formamide;1-methoxy-1-(trifluoromethyl)cyclobutane;2-methylpropane?

The IUPAC name of N-[1-cyano-2-(5-oxo-4-azaspiro[2.4]heptan-6-yl)ethyl]formamide;N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]formamide;1-methoxy-1-(trifluoromethyl)cyclobutane;2-methylpropane (CID 167481665) is N-[1-cyano-2-(5-oxo-4-azaspiro[2.4]heptan-6-yl)ethyl]formamide;N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]formamide;1-methoxy-1-(trifluoromethyl)cyclobutane;2-methylpropane.

What is the SMILES notation for N-[1-cyano-2-(5-oxo-4-azaspiro[2.4]heptan-6-yl)ethyl]formamide;N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]formamide;1-methoxy-1-(trifluoromethyl)cyclobutane;2-methylpropane?

The canonical SMILES for N-[1-cyano-2-(5-oxo-4-azaspiro[2.4]heptan-6-yl)ethyl]formamide;N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]formamide;1-methoxy-1-(trifluoromethyl)cyclobutane;2-methylpropane is CC(C)C.CC1(C)C2CN(C(=O)CNC=O)CC21.COC1(C(F)(F)F)CCC1.N#CC(CC1CC2(CC2)NC1=O)NC=O.

What is the InChIKey of N-[1-cyano-2-(5-oxo-4-azaspiro[2.4]heptan-6-yl)ethyl]formamide;N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]formamide;1-methoxy-1-(trifluoromethyl)cyclobutane;2-methylpropane?

The InChIKey is MREWQHHKRKMSEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2.C10H16N2O2.C6H9F3O.C4H10/c11-5-8(12-6-14)3-7-4-10(1-2-10)13-9(7)15;1-10(2)7-4-12(5-8(7)10)9(14)3-11-6-13;1-10-5(3-2-4-5)6(7,8)9;1-4(2)3/h6-8H,1-4H2,(H,12,14)(H,13,15);6-8H,3-5H2,1-2H3,(H,11,13);2-4H2,1H3;4H,1-3H3.

What are the key properties of N-[1-cyano-2-(5-oxo-4-azaspiro[2.4]heptan-6-yl)ethyl]formamide;N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]formamide;1-methoxy-1-(trifluoromethyl)cyclobutane;2-methylpropane?

N-[1-cyano-2-(5-oxo-4-azaspiro[2.4]heptan-6-yl)ethyl]formamide;N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]formamide;1-methoxy-1-(trifluoromethyl)cyclobutane;2-methylpropane has a molecular weight of 615.74 g/mol, XLogP of 3.31, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-cyano-2-(5-oxo-4-azaspiro[2.4]heptan-6-yl)ethyl]formamide;N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]formamide;1-methoxy-1-(trifluoromethyl)cyclobutane;2-methylpropane is sourced from PubChem (CID 167481665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).