(1-fluorocyclopropyl)-(2-pyrrolidin-1-yl-7-azaspiro[3.5]nonan-7-yl)methanone

C16H25FN2O — CID 131681901

IUPAC(1-fluorocyclopropyl)-(2-pyrrolidin-1-yl-7-azaspiro[3.5]nonan-7-yl)methanone
SMILESO=C(N1CCC2(CC1)CC(N1CCCC1)C2)C1(F)CC1
InChIInChI=1S/C16H25FN2O/c17-16(3-4-16)14(20)19-9-5-15(6-10-19)11-13(12-15)18-7-1-2-8-18/h13H,1-12H2
InChIKeyRUPJIUDJJKBEDV-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.36
Rot. Bonds2

About (1-fluorocyclopropyl)-(2-pyrrolidin-1-yl-7-azaspiro[3.5]nonan-7-yl)methanone

(1-fluorocyclopropyl)-(2-pyrrolidin-1-yl-7-azaspiro[3.5]nonan-7-yl)methanone (PubChem CID 131681901) has the molecular formula C16H25FN2O and a molecular weight of 280.39 g/mol. Its IUPAC name is (1-fluorocyclopropyl)-(2-pyrrolidin-1-yl-7-azaspiro[3.5]nonan-7-yl)methanone.

Molecular Properties

Compound Name(1-fluorocyclopropyl)-(2-pyrrolidin-1-yl-7-azaspiro[3.5]nonan-7-yl)methanone
PubChem CID131681901
Molecular FormulaC16H25FN2O
Molecular Weight280.39 g/mol
Exact Mass280.20
IUPAC Name(1-fluorocyclopropyl)-(2-pyrrolidin-1-yl-7-azaspiro[3.5]nonan-7-yl)methanone
SMILESO=C(N1CCC2(CC1)CC(N1CCCC1)C2)C1(F)CC1
InChIInChI=1S/C16H25FN2O/c17-16(3-4-16)14(20)19-9-5-15(6-10-19)11-13(12-15)18-7-1-2-8-18/h13H,1-12H2
InChIKeyRUPJIUDJJKBEDV-UHFFFAOYSA-N
XLogP2.36
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-fluorocyclopropyl)-(2-pyrrolidin-1-yl-7-azaspiro[3.5]nonan-7-yl)methanone?
The IUPAC name of (1-fluorocyclopropyl)-(2-pyrrolidin-1-yl-7-azaspiro[3.5]nonan-7-yl)methanone (CID 131681901) is (1-fluorocyclopropyl)-(2-pyrrolidin-1-yl-7-azaspiro[3.5]nonan-7-yl)methanone.
What is the SMILES notation for (1-fluorocyclopropyl)-(2-pyrrolidin-1-yl-7-azaspiro[3.5]nonan-7-yl)methanone?
The canonical SMILES for (1-fluorocyclopropyl)-(2-pyrrolidin-1-yl-7-azaspiro[3.5]nonan-7-yl)methanone is O=C(N1CCC2(CC1)CC(N1CCCC1)C2)C1(F)CC1.
What is the InChIKey of (1-fluorocyclopropyl)-(2-pyrrolidin-1-yl-7-azaspiro[3.5]nonan-7-yl)methanone?
The InChIKey is RUPJIUDJJKBEDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O/c17-16(3-4-16)14(20)19-9-5-15(6-10-19)11-13(12-15)18-7-1-2-8-18/h13H,1-12H2.
What are the key properties of (1-fluorocyclopropyl)-(2-pyrrolidin-1-yl-7-azaspiro[3.5]nonan-7-yl)methanone?
(1-fluorocyclopropyl)-(2-pyrrolidin-1-yl-7-azaspiro[3.5]nonan-7-yl)methanone has a molecular weight of 280.39 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-fluorocyclopropyl)-(2-pyrrolidin-1-yl-7-azaspiro[3.5]nonan-7-yl)methanone is sourced from PubChem (CID 131681901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).