2-amino-1-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)butan-1-one

C9H15FN2O — CID 131025903

IUPAC2-amino-1-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)butan-1-one
SMILESCCC(N)C(=O)N1CCC=C(F)C1
InChIInChI=1S/C9H15FN2O/c1-2-8(11)9(13)12-5-3-4-7(10)6-12/h4,8H,2-3,5-6,11H2,1H3
InChIKeyJSTLUERFYRBXNF-UHFFFAOYSA-N
MW186.23 g/mol
LogP0.81
Rot. Bonds2

About 2-amino-1-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)butan-1-one

2-amino-1-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)butan-1-one (PubChem CID 131025903) has the molecular formula C9H15FN2O and a molecular weight of 186.23 g/mol. Its IUPAC name is 2-amino-1-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)butan-1-one.

Molecular Properties

Compound Name2-amino-1-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)butan-1-one
PubChem CID131025903
Molecular FormulaC9H15FN2O
Molecular Weight186.23 g/mol
Exact Mass186.12
IUPAC Name2-amino-1-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)butan-1-one
SMILESCCC(N)C(=O)N1CCC=C(F)C1
InChIInChI=1S/C9H15FN2O/c1-2-8(11)9(13)12-5-3-4-7(10)6-12/h4,8H,2-3,5-6,11H2,1H3
InChIKeyJSTLUERFYRBXNF-UHFFFAOYSA-N
XLogP0.81
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.23
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(E)-4-amino-5-fluoropent-2-enyl]butanamide
CID 20466292
N-(4-amino-5-fluoropent-2-enyl)butanamide
CID 54168315
(2S)-2-[[(E)-4,5,5-trifluoropent-2-enyl]amino]butanamide
CID 143150912
2-amino-N-methyl-N-(2,2,2-trifluoroethyl)pent-4-enamide
CID 81774681
2-amino-N-ethyl-N-(2,2,2-trifluoroethyl)pent-4-enamide
CID 81776323
2-amino-N-methyl-N-(3,3,3-trifluoropropyl)pent-4-enamide
CID 81777276
(2R)-2-amino-3,3-dimethyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-one
CID 104930303
(2R)-2-amino-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
CID 104930308
(2R)-2-amino-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-one
CID 104930312
(2S)-2-amino-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
CID 104930315
(2S)-2-amino-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-one
CID 104930321
2-amino-3,3,3-trifluoro-2-methyl-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one
CID 106313744

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)butan-1-one?
The IUPAC name of 2-amino-1-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)butan-1-one (CID 131025903) is 2-amino-1-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)butan-1-one.
What is the SMILES notation for 2-amino-1-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)butan-1-one?
The canonical SMILES for 2-amino-1-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)butan-1-one is CCC(N)C(=O)N1CCC=C(F)C1.
What is the InChIKey of 2-amino-1-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)butan-1-one?
The InChIKey is JSTLUERFYRBXNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FN2O/c1-2-8(11)9(13)12-5-3-4-7(10)6-12/h4,8H,2-3,5-6,11H2,1H3.
What are the key properties of 2-amino-1-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)butan-1-one?
2-amino-1-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)butan-1-one has a molecular weight of 186.23 g/mol, XLogP of 0.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)butan-1-one is sourced from PubChem (CID 131025903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).