(2,4-dimethylpyrrolidin-1-yl)-(3-fluoroazetidin-1-yl)methanone

C10H17FN2O — CID 170767344

IUPAC(2,4-dimethylpyrrolidin-1-yl)-(3-fluoroazetidin-1-yl)methanone
SMILESCC1CC(C)N(C(=O)N2CC(F)C2)C1
InChIInChI=1S/C10H17FN2O/c1-7-3-8(2)13(4-7)10(14)12-5-9(11)6-12/h7-9H,3-6H2,1-2H3
InChIKeyDDWVQFQKOFUVKI-UHFFFAOYSA-N
MW200.26 g/mol
LogP1.49
Rot. Bonds

About (2,4-dimethylpyrrolidin-1-yl)-(3-fluoroazetidin-1-yl)methanone

(2,4-dimethylpyrrolidin-1-yl)-(3-fluoroazetidin-1-yl)methanone (PubChem CID 170767344) has the molecular formula C10H17FN2O and a molecular weight of 200.26 g/mol. Its IUPAC name is (2,4-dimethylpyrrolidin-1-yl)-(3-fluoroazetidin-1-yl)methanone.

Molecular Properties

Compound Name(2,4-dimethylpyrrolidin-1-yl)-(3-fluoroazetidin-1-yl)methanone
PubChem CID170767344
Molecular FormulaC10H17FN2O
Molecular Weight200.26 g/mol
Exact Mass200.13
IUPAC Name(2,4-dimethylpyrrolidin-1-yl)-(3-fluoroazetidin-1-yl)methanone
SMILESCC1CC(C)N(C(=O)N2CC(F)C2)C1
InChIInChI=1S/C10H17FN2O/c1-7-3-8(2)13(4-7)10(14)12-5-9(11)6-12/h7-9H,3-6H2,1-2H3
InChIKeyDDWVQFQKOFUVKI-UHFFFAOYSA-N
XLogP1.49
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2,4-dimethylpyrrolidin-1-yl)-(3-fluoroazetidin-1-yl)methanone?
The IUPAC name of (2,4-dimethylpyrrolidin-1-yl)-(3-fluoroazetidin-1-yl)methanone (CID 170767344) is (2,4-dimethylpyrrolidin-1-yl)-(3-fluoroazetidin-1-yl)methanone.
What is the SMILES notation for (2,4-dimethylpyrrolidin-1-yl)-(3-fluoroazetidin-1-yl)methanone?
The canonical SMILES for (2,4-dimethylpyrrolidin-1-yl)-(3-fluoroazetidin-1-yl)methanone is CC1CC(C)N(C(=O)N2CC(F)C2)C1.
What is the InChIKey of (2,4-dimethylpyrrolidin-1-yl)-(3-fluoroazetidin-1-yl)methanone?
The InChIKey is DDWVQFQKOFUVKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FN2O/c1-7-3-8(2)13(4-7)10(14)12-5-9(11)6-12/h7-9H,3-6H2,1-2H3.
What are the key properties of (2,4-dimethylpyrrolidin-1-yl)-(3-fluoroazetidin-1-yl)methanone?
(2,4-dimethylpyrrolidin-1-yl)-(3-fluoroazetidin-1-yl)methanone has a molecular weight of 200.26 g/mol, XLogP of 1.49, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethylpyrrolidin-1-yl)-(3-fluoroazetidin-1-yl)methanone is sourced from PubChem (CID 170767344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).