(2R)-1,2,5-trimethyl-2,6-dihydro-1H-pyridin-1-ium-3-one

C8H14NO+ — CID 6984975

IUPAC(2R)-1,2,5-trimethyl-2,6-dihydro-1H-pyridin-1-ium-3-one
SMILESCC1=CC(=O)[C@@H](C)[NH+](C)C1
InChIInChI=1S/C8H13NO/c1-6-4-8(10)7(2)9(3)5-6/h4,7H,5H2,1-3H3/p+1/t7-/m1/s1
InChIKeySDTBXALUXSVVRK-SSDOTTSWSA-O
MW140.21 g/mol
LogP-0.58
Rot. Bonds

About (2R)-1,2,5-trimethyl-2,6-dihydro-1H-pyridin-1-ium-3-one

(2R)-1,2,5-trimethyl-2,6-dihydro-1H-pyridin-1-ium-3-one (PubChem CID 6984975) has the molecular formula C8H14NO+ and a molecular weight of 140.21 g/mol. Its IUPAC name is (2R)-1,2,5-trimethyl-2,6-dihydro-1H-pyridin-1-ium-3-one.

Molecular Properties

Compound Name(2R)-1,2,5-trimethyl-2,6-dihydro-1H-pyridin-1-ium-3-one
PubChem CID6984975
Molecular FormulaC8H14NO+
Molecular Weight140.21 g/mol
Exact Mass140.11
IUPAC Name(2R)-1,2,5-trimethyl-2,6-dihydro-1H-pyridin-1-ium-3-one
SMILESCC1=CC(=O)[C@@H](C)[NH+](C)C1
InChIInChI=1S/C8H13NO/c1-6-4-8(10)7(2)9(3)5-6/h4,7H,5H2,1-3H3/p+1/t7-/m1/s1
InChIKeySDTBXALUXSVVRK-SSDOTTSWSA-O
XLogP-0.58
TPSA21.51 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.21
LogP ≤ 5-0.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,6,6-Trimethyl-1,2-dihydropyridin-5-one
CID 1415571
1-t-Butyl-2,5-dimethyl-4,5-dehydro-3-piperidone
CID 3438403
1,2,5-Trimethyl-4,5-dehydropiperid-3-one
CID 3591042
3,5-Dimethyl-2-(propylamino)cyclohexa-2,5-diene-1,4-dione
CID 129707894
(6R)-1,5,6-trimethyl-2,6-dihydro-1H-pyridin-1-ium-3-one
CID 6984977
1-tert-butyl-4,5-dimethyl-2,6-dihydro-1H-pyridin-1-ium-3-one
CID 6985009
2-methyl-2,6-dihydro-1H-pyridin-3-one
CID 20062234
5-methyl-2,6-dihydro-1H-pyridin-3-one
CID 57586319
2-(Ethylamino)-5-methylcyclohexa-2,5-dien-1-one
CID 59930689
N-(4-methyl-6-oxocyclohexa-2,4-dien-1-yl)acetamide
CID 70566470
3,5-Dimethyl-2-(prop-2-enylamino)cyclohexa-2,5-diene-1,4-dione
CID 89283059
1-(2-Methyl-1,2,3,6-tetrahydropyridin-5-yl)ethanone
CID 89503216

Frequently Asked Questions

What is the IUPAC name of (2R)-1,2,5-trimethyl-2,6-dihydro-1H-pyridin-1-ium-3-one?
The IUPAC name of (2R)-1,2,5-trimethyl-2,6-dihydro-1H-pyridin-1-ium-3-one (CID 6984975) is (2R)-1,2,5-trimethyl-2,6-dihydro-1H-pyridin-1-ium-3-one.
What is the SMILES notation for (2R)-1,2,5-trimethyl-2,6-dihydro-1H-pyridin-1-ium-3-one?
The canonical SMILES for (2R)-1,2,5-trimethyl-2,6-dihydro-1H-pyridin-1-ium-3-one is CC1=CC(=O)[C@@H](C)[NH+](C)C1.
What is the InChIKey of (2R)-1,2,5-trimethyl-2,6-dihydro-1H-pyridin-1-ium-3-one?
The InChIKey is SDTBXALUXSVVRK-SSDOTTSWSA-O. The full InChI is InChI=1S/C8H13NO/c1-6-4-8(10)7(2)9(3)5-6/h4,7H,5H2,1-3H3/p+1/t7-/m1/s1.
What are the key properties of (2R)-1,2,5-trimethyl-2,6-dihydro-1H-pyridin-1-ium-3-one?
(2R)-1,2,5-trimethyl-2,6-dihydro-1H-pyridin-1-ium-3-one has a molecular weight of 140.21 g/mol, XLogP of -0.58, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1,2,5-trimethyl-2,6-dihydro-1H-pyridin-1-ium-3-one is sourced from PubChem (CID 6984975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).