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

C9H15FN2O — CID 170766826

IUPAC(3-fluoroazetidin-1-yl)-(3-methylpyrrolidin-1-yl)methanone
SMILESCC1CCN(C(=O)N2CC(F)C2)C1
InChIInChI=1S/C9H15FN2O/c1-7-2-3-11(4-7)9(13)12-5-8(10)6-12/h7-8H,2-6H2,1H3
InChIKeyVRWNRWQZHKQZBD-UHFFFAOYSA-N
MW186.23 g/mol
LogP1.10
Rot. Bonds

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

(3-fluoroazetidin-1-yl)-(3-methylpyrrolidin-1-yl)methanone (PubChem CID 170766826) has the molecular formula C9H15FN2O and a molecular weight of 186.23 g/mol. Its IUPAC name is (3-fluoroazetidin-1-yl)-(3-methylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(3-fluoroazetidin-1-yl)-(3-methylpyrrolidin-1-yl)methanone
PubChem CID170766826
Molecular FormulaC9H15FN2O
Molecular Weight186.23 g/mol
Exact Mass186.12
IUPAC Name(3-fluoroazetidin-1-yl)-(3-methylpyrrolidin-1-yl)methanone
SMILESCC1CCN(C(=O)N2CC(F)C2)C1
InChIInChI=1S/C9H15FN2O/c1-7-2-3-11(4-7)9(13)12-5-8(10)6-12/h7-8H,2-6H2,1H3
InChIKeyVRWNRWQZHKQZBD-UHFFFAOYSA-N
XLogP1.10
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.23
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3-fluoroazetidin-1-yl)-(3-methylpyrrolidin-1-yl)methanone?
The IUPAC name of (3-fluoroazetidin-1-yl)-(3-methylpyrrolidin-1-yl)methanone (CID 170766826) is (3-fluoroazetidin-1-yl)-(3-methylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (3-fluoroazetidin-1-yl)-(3-methylpyrrolidin-1-yl)methanone?
The canonical SMILES for (3-fluoroazetidin-1-yl)-(3-methylpyrrolidin-1-yl)methanone is CC1CCN(C(=O)N2CC(F)C2)C1.
What is the InChIKey of (3-fluoroazetidin-1-yl)-(3-methylpyrrolidin-1-yl)methanone?
The InChIKey is VRWNRWQZHKQZBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FN2O/c1-7-2-3-11(4-7)9(13)12-5-8(10)6-12/h7-8H,2-6H2,1H3.
What are the key properties of (3-fluoroazetidin-1-yl)-(3-methylpyrrolidin-1-yl)methanone?
(3-fluoroazetidin-1-yl)-(3-methylpyrrolidin-1-yl)methanone has a molecular weight of 186.23 g/mol, XLogP of 1.10, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoroazetidin-1-yl)-(3-methylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 170766826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).