2-azaspiro[4.4]nonan-4-yl-[(2R,4S)-2-methyl-4-(trifluoromethyl)pyrrolidin-1-yl]methanone

C15H23F3N2O — CID 166276749

IUPAC2-azaspiro[4.4]nonan-4-yl-[(2R,4S)-2-methyl-4-(trifluoromethyl)pyrrolidin-1-yl]methanone
SMILESC[C@@H]1C[C@H](C(F)(F)F)CN1C(=O)C1CNCC12CCCC2
InChIInChI=1S/C15H23F3N2O/c1-10-6-11(15(16,17)18)8-20(10)13(21)12-7-19-9-14(12)4-2-3-5-14/h10-12,19H,2-9H2,1H3/t10-,11+,12?/m1/s1
InChIKeyMLJFVKJHARNDOJ-UBNQGINQSA-N
MW304.36 g/mol
LogP2.57
Rot. Bonds1

About 2-azaspiro[4.4]nonan-4-yl-[(2R,4S)-2-methyl-4-(trifluoromethyl)pyrrolidin-1-yl]methanone

2-azaspiro[4.4]nonan-4-yl-[(2R,4S)-2-methyl-4-(trifluoromethyl)pyrrolidin-1-yl]methanone (PubChem CID 166276749) has the molecular formula C15H23F3N2O and a molecular weight of 304.36 g/mol. Its IUPAC name is 2-azaspiro[4.4]nonan-4-yl-[(2R,4S)-2-methyl-4-(trifluoromethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name2-azaspiro[4.4]nonan-4-yl-[(2R,4S)-2-methyl-4-(trifluoromethyl)pyrrolidin-1-yl]methanone
PubChem CID166276749
Molecular FormulaC15H23F3N2O
Molecular Weight304.36 g/mol
Exact Mass304.18
IUPAC Name2-azaspiro[4.4]nonan-4-yl-[(2R,4S)-2-methyl-4-(trifluoromethyl)pyrrolidin-1-yl]methanone
SMILESC[C@@H]1C[C@H](C(F)(F)F)CN1C(=O)C1CNCC12CCCC2
InChIInChI=1S/C15H23F3N2O/c1-10-6-11(15(16,17)18)8-20(10)13(21)12-7-19-9-14(12)4-2-3-5-14/h10-12,19H,2-9H2,1H3/t10-,11+,12?/m1/s1
InChIKeyMLJFVKJHARNDOJ-UBNQGINQSA-N
XLogP2.57
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-azaspiro[4.4]nonan-4-yl-[(2R,4S)-2-methyl-4-(trifluoromethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of 2-azaspiro[4.4]nonan-4-yl-[(2R,4S)-2-methyl-4-(trifluoromethyl)pyrrolidin-1-yl]methanone (CID 166276749) is 2-azaspiro[4.4]nonan-4-yl-[(2R,4S)-2-methyl-4-(trifluoromethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for 2-azaspiro[4.4]nonan-4-yl-[(2R,4S)-2-methyl-4-(trifluoromethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for 2-azaspiro[4.4]nonan-4-yl-[(2R,4S)-2-methyl-4-(trifluoromethyl)pyrrolidin-1-yl]methanone is C[C@@H]1C[C@H](C(F)(F)F)CN1C(=O)C1CNCC12CCCC2.
What is the InChIKey of 2-azaspiro[4.4]nonan-4-yl-[(2R,4S)-2-methyl-4-(trifluoromethyl)pyrrolidin-1-yl]methanone?
The InChIKey is MLJFVKJHARNDOJ-UBNQGINQSA-N. The full InChI is InChI=1S/C15H23F3N2O/c1-10-6-11(15(16,17)18)8-20(10)13(21)12-7-19-9-14(12)4-2-3-5-14/h10-12,19H,2-9H2,1H3/t10-,11+,12?/m1/s1.
What are the key properties of 2-azaspiro[4.4]nonan-4-yl-[(2R,4S)-2-methyl-4-(trifluoromethyl)pyrrolidin-1-yl]methanone?
2-azaspiro[4.4]nonan-4-yl-[(2R,4S)-2-methyl-4-(trifluoromethyl)pyrrolidin-1-yl]methanone has a molecular weight of 304.36 g/mol, XLogP of 2.57, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azaspiro[4.4]nonan-4-yl-[(2R,4S)-2-methyl-4-(trifluoromethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 166276749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).