3-(3-fluoroazetidine-1-carbonyl)-4-methyl-6-pentan-2-ylpyran-2-one

C15H20FNO3 — CID 170503893

IUPAC3-(3-fluoroazetidine-1-carbonyl)-4-methyl-6-pentan-2-ylpyran-2-one
SMILESCCCC(C)c1cc(C)c(C(=O)N2CC(F)C2)c(=O)o1
InChIInChI=1S/C15H20FNO3/c1-4-5-9(2)12-6-10(3)13(15(19)20-12)14(18)17-7-11(16)8-17/h6,9,11H,4-5,7-8H2,1-3H3
InChIKeyGFOVVZYHADUOGY-UHFFFAOYSA-N
MW281.33 g/mol
LogP2.65
Rot. Bonds4

About 3-(3-fluoroazetidine-1-carbonyl)-4-methyl-6-pentan-2-ylpyran-2-one

3-(3-fluoroazetidine-1-carbonyl)-4-methyl-6-pentan-2-ylpyran-2-one (PubChem CID 170503893) has the molecular formula C15H20FNO3 and a molecular weight of 281.33 g/mol. Its IUPAC name is 3-(3-fluoroazetidine-1-carbonyl)-4-methyl-6-pentan-2-ylpyran-2-one.

Molecular Properties

Compound Name3-(3-fluoroazetidine-1-carbonyl)-4-methyl-6-pentan-2-ylpyran-2-one
PubChem CID170503893
Molecular FormulaC15H20FNO3
Molecular Weight281.33 g/mol
Exact Mass281.14
IUPAC Name3-(3-fluoroazetidine-1-carbonyl)-4-methyl-6-pentan-2-ylpyran-2-one
SMILESCCCC(C)c1cc(C)c(C(=O)N2CC(F)C2)c(=O)o1
InChIInChI=1S/C15H20FNO3/c1-4-5-9(2)12-6-10(3)13(15(19)20-12)14(18)17-7-11(16)8-17/h6,9,11H,4-5,7-8H2,1-3H3
InChIKeyGFOVVZYHADUOGY-UHFFFAOYSA-N
XLogP2.65
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-6-pentan-2-yl-3-(piperidine-1-carbonyl)pyran-2-one
CID 169418871
4-methyl-6-pentan-2-yl-3-[4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]pyran-2-one
CID 170511312
4-methyl-3-[4-(2-methylprop-2-enyl)piperazine-1-carbonyl]-6-pentan-2-ylpyran-2-one
CID 170507342
methyl 2-[4-(4-methyl-2-oxo-6-pentan-2-ylpyran-3-carbonyl)piperazin-1-yl]acetate
CID 170505504
4-methyl-3-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane-9-carbonyl)-6-pentan-2-ylpyran-2-one
CID 170512704
4-methyl-6-pentan-2-yl-3-(4-pyridin-3-ylpiperazine-1-carbonyl)pyran-2-one
CID 170504649
N-[2-(3-hydroxycyclobutyl)ethyl]-4-methyl-2-oxo-6-pentan-2-ylpyran-3-carboxamide
CID 170504979
4-methyl-2-oxo-6-pentan-2-yl-N-(piperidin-4-ylmethyl)pyran-3-carboxamide;hydrochloride
CID 171713320
3-(3-fluoroazetidine-1-carbonyl)-4-methyl-6-(oxolan-3-yl)pyran-2-one
CID 170509110
3-[(3aR,5S,6S,7aS)-5,6-dihydroxy-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carbonyl]-4-methyl-6-(3-methylbutyl)pyran-2-one
CID 170502797
4-methyl-2-oxo-6-pentan-2-yl-N-(4-piperazin-1-ylphenyl)pyran-3-carboxamide
CID 170513264
N,4-dimethyl-N-[3-(methylamino)-3-oxopropyl]-2-oxo-6-pentan-2-ylpyran-3-carboxamide
CID 170503675

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoroazetidine-1-carbonyl)-4-methyl-6-pentan-2-ylpyran-2-one?
The IUPAC name of 3-(3-fluoroazetidine-1-carbonyl)-4-methyl-6-pentan-2-ylpyran-2-one (CID 170503893) is 3-(3-fluoroazetidine-1-carbonyl)-4-methyl-6-pentan-2-ylpyran-2-one.
What is the SMILES notation for 3-(3-fluoroazetidine-1-carbonyl)-4-methyl-6-pentan-2-ylpyran-2-one?
The canonical SMILES for 3-(3-fluoroazetidine-1-carbonyl)-4-methyl-6-pentan-2-ylpyran-2-one is CCCC(C)c1cc(C)c(C(=O)N2CC(F)C2)c(=O)o1.
What is the InChIKey of 3-(3-fluoroazetidine-1-carbonyl)-4-methyl-6-pentan-2-ylpyran-2-one?
The InChIKey is GFOVVZYHADUOGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO3/c1-4-5-9(2)12-6-10(3)13(15(19)20-12)14(18)17-7-11(16)8-17/h6,9,11H,4-5,7-8H2,1-3H3.
What are the key properties of 3-(3-fluoroazetidine-1-carbonyl)-4-methyl-6-pentan-2-ylpyran-2-one?
3-(3-fluoroazetidine-1-carbonyl)-4-methyl-6-pentan-2-ylpyran-2-one has a molecular weight of 281.33 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoroazetidine-1-carbonyl)-4-methyl-6-pentan-2-ylpyran-2-one is sourced from PubChem (CID 170503893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).