(3S)-3-ethyl-4-methyl-3,4-dihydro-2H-pyridin-5-one

C8H13NO — CID 174858266

IUPAC(3S)-3-ethyl-4-methyl-3,4-dihydro-2H-pyridin-5-one
SMILESCC[C@@H]1CN=CC(=O)C1C
InChIInChI=1S/C8H13NO/c1-3-7-4-9-5-8(10)6(7)2/h5-7H,3-4H2,1-2H3/t6?,7-/m1/s1
InChIKeyNATSLQILRDNHCM-COBSHVIPSA-N
MW139.20 g/mol
LogP1.30
Rot. Bonds1

About (3S)-3-ethyl-4-methyl-3,4-dihydro-2H-pyridin-5-one

(3S)-3-ethyl-4-methyl-3,4-dihydro-2H-pyridin-5-one (PubChem CID 174858266) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is (3S)-3-ethyl-4-methyl-3,4-dihydro-2H-pyridin-5-one.

Molecular Properties

Compound Name(3S)-3-ethyl-4-methyl-3,4-dihydro-2H-pyridin-5-one
PubChem CID174858266
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name(3S)-3-ethyl-4-methyl-3,4-dihydro-2H-pyridin-5-one
SMILESCC[C@@H]1CN=CC(=O)C1C
InChIInChI=1S/C8H13NO/c1-3-7-4-9-5-8(10)6(7)2/h5-7H,3-4H2,1-2H3/t6?,7-/m1/s1
InChIKeyNATSLQILRDNHCM-COBSHVIPSA-N
XLogP1.30
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-ethyl-4-methyl-3,4-dihydro-2H-pyridin-5-one?
The IUPAC name of (3S)-3-ethyl-4-methyl-3,4-dihydro-2H-pyridin-5-one (CID 174858266) is (3S)-3-ethyl-4-methyl-3,4-dihydro-2H-pyridin-5-one.
What is the SMILES notation for (3S)-3-ethyl-4-methyl-3,4-dihydro-2H-pyridin-5-one?
The canonical SMILES for (3S)-3-ethyl-4-methyl-3,4-dihydro-2H-pyridin-5-one is CC[C@@H]1CN=CC(=O)C1C.
What is the InChIKey of (3S)-3-ethyl-4-methyl-3,4-dihydro-2H-pyridin-5-one?
The InChIKey is NATSLQILRDNHCM-COBSHVIPSA-N. The full InChI is InChI=1S/C8H13NO/c1-3-7-4-9-5-8(10)6(7)2/h5-7H,3-4H2,1-2H3/t6?,7-/m1/s1.
What are the key properties of (3S)-3-ethyl-4-methyl-3,4-dihydro-2H-pyridin-5-one?
(3S)-3-ethyl-4-methyl-3,4-dihydro-2H-pyridin-5-one has a molecular weight of 139.20 g/mol, XLogP of 1.30, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-ethyl-4-methyl-3,4-dihydro-2H-pyridin-5-one is sourced from PubChem (CID 174858266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).