(3-ethyl-3-fluoroazetidin-1-yl)-(1-methyl-4,5,6,7-tetrahydropyrrolo[2,3-c]pyridin-2-yl)methanone

C14H20FN3O — CID 163519572

IUPAC(3-ethyl-3-fluoroazetidin-1-yl)-(1-methyl-4,5,6,7-tetrahydropyrrolo[2,3-c]pyridin-2-yl)methanone
SMILESCCC1(F)CN(C(=O)c2cc3c(n2C)CNCC3)C1
InChIInChI=1S/C14H20FN3O/c1-3-14(15)8-18(9-14)13(19)11-6-10-4-5-16-7-12(10)17(11)2/h6,16H,3-5,7-9H2,1-2H3
InChIKeyDJPUUOVYTFCJAL-UHFFFAOYSA-N
MW265.33 g/mol
LogP1.24
Rot. Bonds2

About (3-ethyl-3-fluoroazetidin-1-yl)-(1-methyl-4,5,6,7-tetrahydropyrrolo[2,3-c]pyridin-2-yl)methanone

(3-ethyl-3-fluoroazetidin-1-yl)-(1-methyl-4,5,6,7-tetrahydropyrrolo[2,3-c]pyridin-2-yl)methanone (PubChem CID 163519572) has the molecular formula C14H20FN3O and a molecular weight of 265.33 g/mol. Its IUPAC name is (3-ethyl-3-fluoroazetidin-1-yl)-(1-methyl-4,5,6,7-tetrahydropyrrolo[2,3-c]pyridin-2-yl)methanone.

Molecular Properties

Compound Name(3-ethyl-3-fluoroazetidin-1-yl)-(1-methyl-4,5,6,7-tetrahydropyrrolo[2,3-c]pyridin-2-yl)methanone
PubChem CID163519572
Molecular FormulaC14H20FN3O
Molecular Weight265.33 g/mol
Exact Mass265.16
IUPAC Name(3-ethyl-3-fluoroazetidin-1-yl)-(1-methyl-4,5,6,7-tetrahydropyrrolo[2,3-c]pyridin-2-yl)methanone
SMILESCCC1(F)CN(C(=O)c2cc3c(n2C)CNCC3)C1
InChIInChI=1S/C14H20FN3O/c1-3-14(15)8-18(9-14)13(19)11-6-10-4-5-16-7-12(10)17(11)2/h6,16H,3-5,7-9H2,1-2H3
InChIKeyDJPUUOVYTFCJAL-UHFFFAOYSA-N
XLogP1.24
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-ethyl-3-fluoroazetidin-1-yl)-(1-methyl-4,5,6,7-tetrahydropyrrolo[2,3-c]pyridin-2-yl)methanone?
The IUPAC name of (3-ethyl-3-fluoroazetidin-1-yl)-(1-methyl-4,5,6,7-tetrahydropyrrolo[2,3-c]pyridin-2-yl)methanone (CID 163519572) is (3-ethyl-3-fluoroazetidin-1-yl)-(1-methyl-4,5,6,7-tetrahydropyrrolo[2,3-c]pyridin-2-yl)methanone.
What is the SMILES notation for (3-ethyl-3-fluoroazetidin-1-yl)-(1-methyl-4,5,6,7-tetrahydropyrrolo[2,3-c]pyridin-2-yl)methanone?
The canonical SMILES for (3-ethyl-3-fluoroazetidin-1-yl)-(1-methyl-4,5,6,7-tetrahydropyrrolo[2,3-c]pyridin-2-yl)methanone is CCC1(F)CN(C(=O)c2cc3c(n2C)CNCC3)C1.
What is the InChIKey of (3-ethyl-3-fluoroazetidin-1-yl)-(1-methyl-4,5,6,7-tetrahydropyrrolo[2,3-c]pyridin-2-yl)methanone?
The InChIKey is DJPUUOVYTFCJAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O/c1-3-14(15)8-18(9-14)13(19)11-6-10-4-5-16-7-12(10)17(11)2/h6,16H,3-5,7-9H2,1-2H3.
What are the key properties of (3-ethyl-3-fluoroazetidin-1-yl)-(1-methyl-4,5,6,7-tetrahydropyrrolo[2,3-c]pyridin-2-yl)methanone?
(3-ethyl-3-fluoroazetidin-1-yl)-(1-methyl-4,5,6,7-tetrahydropyrrolo[2,3-c]pyridin-2-yl)methanone has a molecular weight of 265.33 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-3-fluoroazetidin-1-yl)-(1-methyl-4,5,6,7-tetrahydropyrrolo[2,3-c]pyridin-2-yl)methanone is sourced from PubChem (CID 163519572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).