butane;N-[4-cyclopropyloxy-2-(2-formyl-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)pent-1-en-3-yl]formamide;ethane;2-methyl-3-(2-oxopiperidin-3-yl)propanenitrile;1,1,1-trifluoroethane

C36H65F3N4O4 — CID 167481123

About butane;N-[4-cyclopropyloxy-2-(2-formyl-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)pent-1-en-3-yl]formamide;ethane;2-methyl-3-(2-oxopiperidin-3-yl)propanenitrile;1,1,1-trifluoroethane

butane;N-[4-cyclopropyloxy-2-(2-formyl-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)pent-1-en-3-yl]formamide;ethane;2-methyl-3-(2-oxopiperidin-3-yl)propanenitrile;1,1,1-trifluoroethane (PubChem CID 167481123) has the molecular formula C36H65F3N4O4 and a molecular weight of 674.93 g/mol. Its IUPAC name is butane;N-[4-cyclopropyloxy-2-(2-formyl-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)pent-1-en-3-yl]formamide;ethane;2-methyl-3-(2-oxopiperidin-3-yl)propanenitrile;1,1,1-trifluoroethane.

Molecular Properties

• Compound Name: butane;N-[4-cyclopropyloxy-2-(2-formyl-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)pent-1-en-3-yl]formamide;ethane;2-methyl-3-(2-oxopiperidin-3-yl)propanenitrile;1,1,1-trifluoroethane
• PubChem CID: 167481123
• Molecular Formula: C36H65F3N4O4
• Molecular Weight: 674.93 g/mol
• Exact Mass: 674.50
• IUPAC Name: butane;N-[4-cyclopropyloxy-2-(2-formyl-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)pent-1-en-3-yl]formamide;ethane;2-methyl-3-(2-oxopiperidin-3-yl)propanenitrile;1,1,1-trifluoroethane
• SMILES: C=C(C(NC=O)C(C)OC1CC1)N1CC2C(C1C=O)C2(C)C.CC.CC.CC(C#N)CC1CCCNC1=O.CC(F)(F)F.CCCC
• InChI: InChI=1S/C17H26N2O3.C9H14N2O.C4H10.C2H3F3.2C2H6/c1-10(16(18-9-21)11(2)22-12-5-6-12)19-7-13-15(14(19)8-20)17(13,3)4;1-7(6-10)5-8-3-2-4-11-9(8)12;1-3-4-2;1-2(3,4)5;2*1-2/h8-9,11-16H,1,5-7H2,2-4H3,(H,18,21);7-8H,2-5H2,1H3,(H,11,12);3-4H2,1-2H3;1H3;2*1-2H3
• InChIKey: XNZWBODHJQHBQV-UHFFFAOYSA-N
• XLogP: 7.83
• TPSA: 111.53 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	674.93
LogP ≤ 5	7.83
H-Bond Donors ≤ 5	2
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 butane;N-[4-cyclopropyloxy-2-(2-formyl-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)pent-1-en-3-yl]formamide;ethane;2-methyl-3-(2-oxopiperidin-3-yl)propanenitrile;1,1,1-trifluoroethane?

The IUPAC name of butane;N-[4-cyclopropyloxy-2-(2-formyl-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)pent-1-en-3-yl]formamide;ethane;2-methyl-3-(2-oxopiperidin-3-yl)propanenitrile;1,1,1-trifluoroethane (CID 167481123) is butane;N-[4-cyclopropyloxy-2-(2-formyl-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)pent-1-en-3-yl]formamide;ethane;2-methyl-3-(2-oxopiperidin-3-yl)propanenitrile;1,1,1-trifluoroethane.

What is the SMILES notation for butane;N-[4-cyclopropyloxy-2-(2-formyl-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)pent-1-en-3-yl]formamide;ethane;2-methyl-3-(2-oxopiperidin-3-yl)propanenitrile;1,1,1-trifluoroethane?

The canonical SMILES for butane;N-[4-cyclopropyloxy-2-(2-formyl-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)pent-1-en-3-yl]formamide;ethane;2-methyl-3-(2-oxopiperidin-3-yl)propanenitrile;1,1,1-trifluoroethane is C=C(C(NC=O)C(C)OC1CC1)N1CC2C(C1C=O)C2(C)C.CC.CC.CC(C#N)CC1CCCNC1=O.CC(F)(F)F.CCCC.

What is the InChIKey of butane;N-[4-cyclopropyloxy-2-(2-formyl-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)pent-1-en-3-yl]formamide;ethane;2-methyl-3-(2-oxopiperidin-3-yl)propanenitrile;1,1,1-trifluoroethane?

The InChIKey is XNZWBODHJQHBQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3.C9H14N2O.C4H10.C2H3F3.2C2H6/c1-10(16(18-9-21)11(2)22-12-5-6-12)19-7-13-15(14(19)8-20)17(13,3)4;1-7(6-10)5-8-3-2-4-11-9(8)12;1-3-4-2;1-2(3,4)5;2*1-2/h8-9,11-16H,1,5-7H2,2-4H3,(H,18,21);7-8H,2-5H2,1H3,(H,11,12);3-4H2,1-2H3;1H3;2*1-2H3.

What are the key properties of butane;N-[4-cyclopropyloxy-2-(2-formyl-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)pent-1-en-3-yl]formamide;ethane;2-methyl-3-(2-oxopiperidin-3-yl)propanenitrile;1,1,1-trifluoroethane?

butane;N-[4-cyclopropyloxy-2-(2-formyl-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)pent-1-en-3-yl]formamide;ethane;2-methyl-3-(2-oxopiperidin-3-yl)propanenitrile;1,1,1-trifluoroethane has a molecular weight of 674.93 g/mol, XLogP of 7.83, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for butane;N-[4-cyclopropyloxy-2-(2-formyl-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)pent-1-en-3-yl]formamide;ethane;2-methyl-3-(2-oxopiperidin-3-yl)propanenitrile;1,1,1-trifluoroethane is sourced from PubChem (CID 167481123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).