(2R)-1,5-dimethyl-2-propan-2-yl-2,6-dihydro-1H-pyridin-1-ium-3-one

C10H18NO+ — CID 6984967

IUPAC(2R)-1,5-dimethyl-2-propan-2-yl-2,6-dihydro-1H-pyridin-1-ium-3-one
SMILESCC1=CC(=O)[C@@H](C(C)C)[NH+](C)C1
InChIInChI=1S/C10H17NO/c1-7(2)10-9(12)5-8(3)6-11(10)4/h5,7,10H,6H2,1-4H3/p+1/t10-/m1/s1
InChIKeyUPBQWZZUPLMBFL-SNVBAGLBSA-O
MW168.26 g/mol
LogP0.05
Rot. Bonds1

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

(2R)-1,5-dimethyl-2-propan-2-yl-2,6-dihydro-1H-pyridin-1-ium-3-one (PubChem CID 6984967) has the molecular formula C10H18NO+ and a molecular weight of 168.26 g/mol. Its IUPAC name is (2R)-1,5-dimethyl-2-propan-2-yl-2,6-dihydro-1H-pyridin-1-ium-3-one.

Molecular Properties

Compound Name(2R)-1,5-dimethyl-2-propan-2-yl-2,6-dihydro-1H-pyridin-1-ium-3-one
PubChem CID6984967
Molecular FormulaC10H18NO+
Molecular Weight168.26 g/mol
Exact Mass168.14
IUPAC Name(2R)-1,5-dimethyl-2-propan-2-yl-2,6-dihydro-1H-pyridin-1-ium-3-one
SMILESCC1=CC(=O)[C@@H](C(C)C)[NH+](C)C1
InChIInChI=1S/C10H17NO/c1-7(2)10-9(12)5-8(3)6-11(10)4/h5,7,10H,6H2,1-4H3/p+1/t10-/m1/s1
InChIKeyUPBQWZZUPLMBFL-SNVBAGLBSA-O
XLogP0.05
TPSA21.51 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.26
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (2R)-1,5-dimethyl-2-propan-2-yl-2,6-dihydro-1H-pyridin-1-ium-3-one with MolForge

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Launch Full Analysis

Related Compounds

(5R)-3-methyl-5-propan-2-ylcyclopent-2-en-1-one
CID 130737248
(4S,6S)-4-hydroxy-3-methyl-6-propan-2-ylcyclohex-2-en-1-one
CID 130858490
6-(1-hydroxyethyl)-3-methylcyclohex-2-en-1-one
CID 130037393
1,3,6,6-tetramethyl-1,2-dihydropyridin-1-ium-5-one
CID 6984949
(3S,8S)-3,8-di(propan-2-yl)-3,4,7,8-tetrahydrooxonine-2,9-dione
CID 91112711
5,9-dimethyl-2-propan-2-yl-1-oxacycloundeca-4,8-diene-3,10-dione
CID 162980393
6-propan-2-ylcyclohex-2-en-1-one
CID 12657624
(4S,9S)-4,9-di(propan-2-yl)-2,11-dioxabicyclo[10.4.0]hexadeca-1(16),6,12,14-tetraene-3,10-dione
CID 70274927
3-phenyl-5-propan-2-ylcyclopent-2-en-1-one
CID 11095650
3-methoxy-7-propan-2-ylcyclohept-2-en-1-one
CID 91416101
[(1R,3R,5E,10S)-10-hydroxy-6,10-dimethyl-4,9-dioxo-3-propan-2-ylcyclodec-5-en-1-yl] (2S,3R)-2,3-dimethyloxirane-2-carboxylate
CID 163082386
(6S)-6-acetyl-3-methylcyclohex-2-en-1-one
CID 92840169

Frequently Asked Questions

What is the IUPAC name of (2R)-1,5-dimethyl-2-propan-2-yl-2,6-dihydro-1H-pyridin-1-ium-3-one?
The IUPAC name of (2R)-1,5-dimethyl-2-propan-2-yl-2,6-dihydro-1H-pyridin-1-ium-3-one (CID 6984967) is (2R)-1,5-dimethyl-2-propan-2-yl-2,6-dihydro-1H-pyridin-1-ium-3-one.
What is the SMILES notation for (2R)-1,5-dimethyl-2-propan-2-yl-2,6-dihydro-1H-pyridin-1-ium-3-one?
The canonical SMILES for (2R)-1,5-dimethyl-2-propan-2-yl-2,6-dihydro-1H-pyridin-1-ium-3-one is CC1=CC(=O)[C@@H](C(C)C)[NH+](C)C1.
What is the InChIKey of (2R)-1,5-dimethyl-2-propan-2-yl-2,6-dihydro-1H-pyridin-1-ium-3-one?
The InChIKey is UPBQWZZUPLMBFL-SNVBAGLBSA-O. The full InChI is InChI=1S/C10H17NO/c1-7(2)10-9(12)5-8(3)6-11(10)4/h5,7,10H,6H2,1-4H3/p+1/t10-/m1/s1.
What are the key properties of (2R)-1,5-dimethyl-2-propan-2-yl-2,6-dihydro-1H-pyridin-1-ium-3-one?
(2R)-1,5-dimethyl-2-propan-2-yl-2,6-dihydro-1H-pyridin-1-ium-3-one has a molecular weight of 168.26 g/mol, XLogP of 0.05, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1,5-dimethyl-2-propan-2-yl-2,6-dihydro-1H-pyridin-1-ium-3-one is sourced from PubChem (CID 6984967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).