4,6-dimethyl-3,4-dihydro-1H-pyridin-2-one;ethane

C9H17NO — CID 143800900

IUPAC4,6-dimethyl-3,4-dihydro-1H-pyridin-2-one;ethane
SMILESCC.CC1=CC(C)CC(=O)N1
InChIInChI=1S/C7H11NO.C2H6/c1-5-3-6(2)8-7(9)4-5;1-2/h3,5H,4H2,1-2H3,(H,8,9);1-2H3
InChIKeyURGPNRZULDVMEL-UHFFFAOYSA-N
MW155.24 g/mol
LogP2.07
Rot. Bonds

About 4,6-dimethyl-3,4-dihydro-1H-pyridin-2-one;ethane

4,6-dimethyl-3,4-dihydro-1H-pyridin-2-one;ethane (PubChem CID 143800900) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 4,6-dimethyl-3,4-dihydro-1H-pyridin-2-one;ethane.

Molecular Properties

Compound Name4,6-dimethyl-3,4-dihydro-1H-pyridin-2-one;ethane
PubChem CID143800900
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name4,6-dimethyl-3,4-dihydro-1H-pyridin-2-one;ethane
SMILESCC.CC1=CC(C)CC(=O)N1
InChIInChI=1S/C7H11NO.C2H6/c1-5-3-6(2)8-7(9)4-5;1-2/h3,5H,4H2,1-2H3,(H,8,9);1-2H3
InChIKeyURGPNRZULDVMEL-UHFFFAOYSA-N
XLogP2.07
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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(6S)-6-methyl-1,3-diazinane-2,4-dione
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3-methyl-1-(3-methylcyclobuten-1-yl)sulfonylcyclobutene
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3-methyl-4-methylsulfanylpiperidine-2,6-dione
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(3S)-3-hydroxypyrrolidine-2,5-dione
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(8S,12S,16S)-4,8,12,16-tetramethyl-1,5,9,13-tetrazacyclohexadecane-2,6,10,14-tetrone
CID 177427940
4-(3,5-dimethylcyclohex-3-en-1-yl)-3-propylpiperidine-2,6-dione
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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-3,4-dihydro-1H-pyridin-2-one;ethane?
The IUPAC name of 4,6-dimethyl-3,4-dihydro-1H-pyridin-2-one;ethane (CID 143800900) is 4,6-dimethyl-3,4-dihydro-1H-pyridin-2-one;ethane.
What is the SMILES notation for 4,6-dimethyl-3,4-dihydro-1H-pyridin-2-one;ethane?
The canonical SMILES for 4,6-dimethyl-3,4-dihydro-1H-pyridin-2-one;ethane is CC.CC1=CC(C)CC(=O)N1.
What is the InChIKey of 4,6-dimethyl-3,4-dihydro-1H-pyridin-2-one;ethane?
The InChIKey is URGPNRZULDVMEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO.C2H6/c1-5-3-6(2)8-7(9)4-5;1-2/h3,5H,4H2,1-2H3,(H,8,9);1-2H3.
What are the key properties of 4,6-dimethyl-3,4-dihydro-1H-pyridin-2-one;ethane?
4,6-dimethyl-3,4-dihydro-1H-pyridin-2-one;ethane has a molecular weight of 155.24 g/mol, XLogP of 2.07, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-3,4-dihydro-1H-pyridin-2-one;ethane is sourced from PubChem (CID 143800900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).