3-(dimethylamino)cyclopent-2-en-1-one;1-methyl-2-[(1R)-3-methylcyclohexyl]benzene;1-(nitrosomethyl)-3,5-bis(trifluoromethyl)benzene

C30H36F6N2O2 — CID 143085502

About 3-(dimethylamino)cyclopent-2-en-1-one;1-methyl-2-[(1R)-3-methylcyclohexyl]benzene;1-(nitrosomethyl)-3,5-bis(trifluoromethyl)benzene

3-(dimethylamino)cyclopent-2-en-1-one;1-methyl-2-[(1R)-3-methylcyclohexyl]benzene;1-(nitrosomethyl)-3,5-bis(trifluoromethyl)benzene (PubChem CID 143085502) has the molecular formula C30H36F6N2O2 and a molecular weight of 570.62 g/mol. Its IUPAC name is 3-(dimethylamino)cyclopent-2-en-1-one;1-methyl-2-[(1R)-3-methylcyclohexyl]benzene;1-(nitrosomethyl)-3,5-bis(trifluoromethyl)benzene.

Molecular Properties

• Compound Name: 3-(dimethylamino)cyclopent-2-en-1-one;1-methyl-2-[(1R)-3-methylcyclohexyl]benzene;1-(nitrosomethyl)-3,5-bis(trifluoromethyl)benzene
• PubChem CID: 143085502
• Molecular Formula: C30H36F6N2O2
• Molecular Weight: 570.62 g/mol
• Exact Mass: 570.27
• IUPAC Name: 3-(dimethylamino)cyclopent-2-en-1-one;1-methyl-2-[(1R)-3-methylcyclohexyl]benzene;1-(nitrosomethyl)-3,5-bis(trifluoromethyl)benzene
• SMILES: CN(C)C1=CC(=O)CC1.Cc1ccccc1[C@@H]1CCCC(C)C1.O=NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1
• InChI: InChI=1S/C14H20.C9H5F6NO.C7H11NO/c1-11-6-5-8-13(10-11)14-9-4-3-7-12(14)2;10-8(11,12)6-1-5(4-16-17)2-7(3-6)9(13,14)15;1-8(2)6-3-4-7(9)5-6/h3-4,7,9,11,13H,5-6,8,10H2,1-2H3;1-3H,4H2;5H,3-4H2,1-2H3/t11?,13-;;/m1../s1
• InChIKey: KKTKVYFBMXWDIB-RNVQNLIPSA-N
• XLogP: 9.07
• TPSA: 49.74 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	570.62
LogP ≤ 5	9.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)cyclopent-2-en-1-one;1-methyl-2-[(1R)-3-methylcyclohexyl]benzene;1-(nitrosomethyl)-3,5-bis(trifluoromethyl)benzene?

The IUPAC name of 3-(dimethylamino)cyclopent-2-en-1-one;1-methyl-2-[(1R)-3-methylcyclohexyl]benzene;1-(nitrosomethyl)-3,5-bis(trifluoromethyl)benzene (CID 143085502) is 3-(dimethylamino)cyclopent-2-en-1-one;1-methyl-2-[(1R)-3-methylcyclohexyl]benzene;1-(nitrosomethyl)-3,5-bis(trifluoromethyl)benzene.

What is the SMILES notation for 3-(dimethylamino)cyclopent-2-en-1-one;1-methyl-2-[(1R)-3-methylcyclohexyl]benzene;1-(nitrosomethyl)-3,5-bis(trifluoromethyl)benzene?

The canonical SMILES for 3-(dimethylamino)cyclopent-2-en-1-one;1-methyl-2-[(1R)-3-methylcyclohexyl]benzene;1-(nitrosomethyl)-3,5-bis(trifluoromethyl)benzene is CN(C)C1=CC(=O)CC1.Cc1ccccc1[C@@H]1CCCC(C)C1.O=NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1.

What is the InChIKey of 3-(dimethylamino)cyclopent-2-en-1-one;1-methyl-2-[(1R)-3-methylcyclohexyl]benzene;1-(nitrosomethyl)-3,5-bis(trifluoromethyl)benzene?

The InChIKey is KKTKVYFBMXWDIB-RNVQNLIPSA-N. The full InChI is InChI=1S/C14H20.C9H5F6NO.C7H11NO/c1-11-6-5-8-13(10-11)14-9-4-3-7-12(14)2;10-8(11,12)6-1-5(4-16-17)2-7(3-6)9(13,14)15;1-8(2)6-3-4-7(9)5-6/h3-4,7,9,11,13H,5-6,8,10H2,1-2H3;1-3H,4H2;5H,3-4H2,1-2H3/t11?,13-;;/m1../s1.

What are the key properties of 3-(dimethylamino)cyclopent-2-en-1-one;1-methyl-2-[(1R)-3-methylcyclohexyl]benzene;1-(nitrosomethyl)-3,5-bis(trifluoromethyl)benzene?

3-(dimethylamino)cyclopent-2-en-1-one;1-methyl-2-[(1R)-3-methylcyclohexyl]benzene;1-(nitrosomethyl)-3,5-bis(trifluoromethyl)benzene has a molecular weight of 570.62 g/mol, XLogP of 9.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(dimethylamino)cyclopent-2-en-1-one;1-methyl-2-[(1R)-3-methylcyclohexyl]benzene;1-(nitrosomethyl)-3,5-bis(trifluoromethyl)benzene is sourced from PubChem (CID 143085502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).