(3-fluoroazetidin-1-yl)-(1-methylpyrrolidin-2-yl)methanone

C9H15FN2O — CID 131086250

IUPAC(3-fluoroazetidin-1-yl)-(1-methylpyrrolidin-2-yl)methanone
SMILESCN1CCCC1C(=O)N1CC(F)C1
InChIInChI=1S/C9H15FN2O/c1-11-4-2-3-8(11)9(13)12-5-7(10)6-12/h7-8H,2-6H2,1H3
InChIKeyAVNNYVAWZONNIU-UHFFFAOYSA-N
MW186.23 g/mol
LogP0.26
Rot. Bonds1

About (3-fluoroazetidin-1-yl)-(1-methylpyrrolidin-2-yl)methanone

(3-fluoroazetidin-1-yl)-(1-methylpyrrolidin-2-yl)methanone (PubChem CID 131086250) has the molecular formula C9H15FN2O and a molecular weight of 186.23 g/mol. Its IUPAC name is (3-fluoroazetidin-1-yl)-(1-methylpyrrolidin-2-yl)methanone.

Molecular Properties

Compound Name(3-fluoroazetidin-1-yl)-(1-methylpyrrolidin-2-yl)methanone
PubChem CID131086250
Molecular FormulaC9H15FN2O
Molecular Weight186.23 g/mol
Exact Mass186.12
IUPAC Name(3-fluoroazetidin-1-yl)-(1-methylpyrrolidin-2-yl)methanone
SMILESCN1CCCC1C(=O)N1CC(F)C1
InChIInChI=1S/C9H15FN2O/c1-11-4-2-3-8(11)9(13)12-5-7(10)6-12/h7-8H,2-6H2,1H3
InChIKeyAVNNYVAWZONNIU-UHFFFAOYSA-N
XLogP0.26
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.23
LogP ≤ 50.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-fluoroazetidin-1-yl)-(1-methylpyrrolidin-2-yl)methanone?
The IUPAC name of (3-fluoroazetidin-1-yl)-(1-methylpyrrolidin-2-yl)methanone (CID 131086250) is (3-fluoroazetidin-1-yl)-(1-methylpyrrolidin-2-yl)methanone.
What is the SMILES notation for (3-fluoroazetidin-1-yl)-(1-methylpyrrolidin-2-yl)methanone?
The canonical SMILES for (3-fluoroazetidin-1-yl)-(1-methylpyrrolidin-2-yl)methanone is CN1CCCC1C(=O)N1CC(F)C1.
What is the InChIKey of (3-fluoroazetidin-1-yl)-(1-methylpyrrolidin-2-yl)methanone?
The InChIKey is AVNNYVAWZONNIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FN2O/c1-11-4-2-3-8(11)9(13)12-5-7(10)6-12/h7-8H,2-6H2,1H3.
What are the key properties of (3-fluoroazetidin-1-yl)-(1-methylpyrrolidin-2-yl)methanone?
(3-fluoroazetidin-1-yl)-(1-methylpyrrolidin-2-yl)methanone has a molecular weight of 186.23 g/mol, XLogP of 0.26, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoroazetidin-1-yl)-(1-methylpyrrolidin-2-yl)methanone is sourced from PubChem (CID 131086250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).