(5S)-5-amino-5-ethyl-4-methyl-2H-pyran-6-one

C8H13NO2 — CID 97170372

IUPAC(5S)-5-amino-5-ethyl-4-methyl-2H-pyran-6-one
SMILESCC[C@@]1(N)C(=O)OCC=C1C
InChIInChI=1S/C8H13NO2/c1-3-8(9)6(2)4-5-11-7(8)10/h4H,3,5,9H2,1-2H3/t8-/m0/s1
InChIKeyCFWFQSJWBZZKJG-QMMMGPOBSA-N
MW155.20 g/mol
LogP0.60
Rot. Bonds1

About (5S)-5-amino-5-ethyl-4-methyl-2H-pyran-6-one

(5S)-5-amino-5-ethyl-4-methyl-2H-pyran-6-one (PubChem CID 97170372) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is (5S)-5-amino-5-ethyl-4-methyl-2H-pyran-6-one.

Molecular Properties

Compound Name(5S)-5-amino-5-ethyl-4-methyl-2H-pyran-6-one
PubChem CID97170372
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name(5S)-5-amino-5-ethyl-4-methyl-2H-pyran-6-one
SMILESCC[C@@]1(N)C(=O)OCC=C1C
InChIInChI=1S/C8H13NO2/c1-3-8(9)6(2)4-5-11-7(8)10/h4H,3,5,9H2,1-2H3/t8-/m0/s1
InChIKeyCFWFQSJWBZZKJG-QMMMGPOBSA-N
XLogP0.60
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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CID 12872506
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ethyl 2-[(5-oxo-2H-furan-4-yl)carbamoylamino]acetate
CID 134094657
ethyl 3-(4-nitrophenyl)-4-oxo-3,6-dihydro-1H-furo[3,4-c]pyran-3a-carboxylate
CID 54587559
(3R)-3-ethyl-3-hydroxyoxolan-2-one
CID 100940075
5-ethyl-4,5-dimethylfuran-2-one
CID 15587440
4-(trimethylsilylmethyl)-2H-furan-5-one
CID 14116359
1-ethylcycloprop-2-en-1-amine
CID 91463843
2-[2-(2-ethoxy-2-oxoethyl)-3-oxooxiran-2-yl]acetic acid
CID 21477334
(5R)-5-ethyl-5-hydroxy-2H-oxepin-6-one
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3-amino-3-pentyloxolan-2-one
CID 174336669

Frequently Asked Questions

What is the IUPAC name of (5S)-5-amino-5-ethyl-4-methyl-2H-pyran-6-one?
The IUPAC name of (5S)-5-amino-5-ethyl-4-methyl-2H-pyran-6-one (CID 97170372) is (5S)-5-amino-5-ethyl-4-methyl-2H-pyran-6-one.
What is the SMILES notation for (5S)-5-amino-5-ethyl-4-methyl-2H-pyran-6-one?
The canonical SMILES for (5S)-5-amino-5-ethyl-4-methyl-2H-pyran-6-one is CC[C@@]1(N)C(=O)OCC=C1C.
What is the InChIKey of (5S)-5-amino-5-ethyl-4-methyl-2H-pyran-6-one?
The InChIKey is CFWFQSJWBZZKJG-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H13NO2/c1-3-8(9)6(2)4-5-11-7(8)10/h4H,3,5,9H2,1-2H3/t8-/m0/s1.
What are the key properties of (5S)-5-amino-5-ethyl-4-methyl-2H-pyran-6-one?
(5S)-5-amino-5-ethyl-4-methyl-2H-pyran-6-one has a molecular weight of 155.20 g/mol, XLogP of 0.60, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-amino-5-ethyl-4-methyl-2H-pyran-6-one is sourced from PubChem (CID 97170372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).