5-azaspiro[2.4]heptan-5-yl-[(2S)-2-(fluoromethyl)azetidin-1-yl]methanone

C11H17FN2O — CID 170193615

IUPAC5-azaspiro[2.4]heptan-5-yl-[(2S)-2-(fluoromethyl)azetidin-1-yl]methanone
SMILESO=C(N1CCC2(CC2)C1)N1CC[C@H]1CF
InChIInChI=1S/C11H17FN2O/c12-7-9-1-5-14(9)10(15)13-6-4-11(8-13)2-3-11/h9H,1-8H2/t9-/m0/s1
InChIKeyMYJKTMNHHDKFLE-VIFPVBQESA-N
MW212.27 g/mol
LogP1.64
Rot. Bonds1

About 5-azaspiro[2.4]heptan-5-yl-[(2S)-2-(fluoromethyl)azetidin-1-yl]methanone

5-azaspiro[2.4]heptan-5-yl-[(2S)-2-(fluoromethyl)azetidin-1-yl]methanone (PubChem CID 170193615) has the molecular formula C11H17FN2O and a molecular weight of 212.27 g/mol. Its IUPAC name is 5-azaspiro[2.4]heptan-5-yl-[(2S)-2-(fluoromethyl)azetidin-1-yl]methanone.

Molecular Properties

Compound Name5-azaspiro[2.4]heptan-5-yl-[(2S)-2-(fluoromethyl)azetidin-1-yl]methanone
PubChem CID170193615
Molecular FormulaC11H17FN2O
Molecular Weight212.27 g/mol
Exact Mass212.13
IUPAC Name5-azaspiro[2.4]heptan-5-yl-[(2S)-2-(fluoromethyl)azetidin-1-yl]methanone
SMILESO=C(N1CCC2(CC2)C1)N1CC[C@H]1CF
InChIInChI=1S/C11H17FN2O/c12-7-9-1-5-14(9)10(15)13-6-4-11(8-13)2-3-11/h9H,1-8H2/t9-/m0/s1
InChIKeyMYJKTMNHHDKFLE-VIFPVBQESA-N
XLogP1.64
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-azaspiro[2.4]heptan-5-yl-[(2S)-2-(fluoromethyl)azetidin-1-yl]methanone?
The IUPAC name of 5-azaspiro[2.4]heptan-5-yl-[(2S)-2-(fluoromethyl)azetidin-1-yl]methanone (CID 170193615) is 5-azaspiro[2.4]heptan-5-yl-[(2S)-2-(fluoromethyl)azetidin-1-yl]methanone.
What is the SMILES notation for 5-azaspiro[2.4]heptan-5-yl-[(2S)-2-(fluoromethyl)azetidin-1-yl]methanone?
The canonical SMILES for 5-azaspiro[2.4]heptan-5-yl-[(2S)-2-(fluoromethyl)azetidin-1-yl]methanone is O=C(N1CCC2(CC2)C1)N1CC[C@H]1CF.
What is the InChIKey of 5-azaspiro[2.4]heptan-5-yl-[(2S)-2-(fluoromethyl)azetidin-1-yl]methanone?
The InChIKey is MYJKTMNHHDKFLE-VIFPVBQESA-N. The full InChI is InChI=1S/C11H17FN2O/c12-7-9-1-5-14(9)10(15)13-6-4-11(8-13)2-3-11/h9H,1-8H2/t9-/m0/s1.
What are the key properties of 5-azaspiro[2.4]heptan-5-yl-[(2S)-2-(fluoromethyl)azetidin-1-yl]methanone?
5-azaspiro[2.4]heptan-5-yl-[(2S)-2-(fluoromethyl)azetidin-1-yl]methanone has a molecular weight of 212.27 g/mol, XLogP of 1.64, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-azaspiro[2.4]heptan-5-yl-[(2S)-2-(fluoromethyl)azetidin-1-yl]methanone is sourced from PubChem (CID 170193615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).