1-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)ethanone;ethane

C13H27NO — CID 177140878

IUPAC1-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)ethanone;ethane
SMILESCC.CC.CC(=O)N1CCC(C)=C(C)C1
InChIInChI=1S/C9H15NO.2C2H6/c1-7-4-5-10(9(3)11)6-8(7)2;2*1-2/h4-6H2,1-3H3;2*1-2H3
InChIKeyPYZABVZKXGXUEZ-UHFFFAOYSA-N
MW213.36 g/mol
LogP3.63
Rot. Bonds

About 1-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)ethanone;ethane

1-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)ethanone;ethane (PubChem CID 177140878) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 1-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)ethanone;ethane.

Molecular Properties

Compound Name1-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)ethanone;ethane
PubChem CID177140878
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name1-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)ethanone;ethane
SMILESCC.CC.CC(=O)N1CCC(C)=C(C)C1
InChIInChI=1S/C9H15NO.2C2H6/c1-7-4-5-10(9(3)11)6-8(7)2;2*1-2/h4-6H2,1-3H3;2*1-2H3
InChIKeyPYZABVZKXGXUEZ-UHFFFAOYSA-N
XLogP3.63
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-acetylpiperidin-4-one;ethane
CID 91328133
1-(4-cyclopropylidenepiperidin-1-yl)ethanone
CID 121184138
ethane;methanamine;1-[3-methyl-4-(methyliminomethyl)-2,5-dihydropyrrol-1-yl]ethanone
CID 145441271
1-(5-amino-6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 115023573
1-(8-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 58777842
methyl N-cyano-4,5-dimethyl-3,6-dihydro-2H-pyridine-1-carboximidothioate
CID 130766005
1-(1-iodo-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)ethanone
CID 170243984
1-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethanone
CID 19375487
ethane;1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanone
CID 143511825
6-acetyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonyl chloride
CID 82341872
(3-bromo-5-chloro-2-hydroxyphenyl)-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 100645093
5-bromo-4-methyl-3,6-dihydro-2H-pyridine-1-carboxamide
CID 130621063

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)ethanone;ethane?
The IUPAC name of 1-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)ethanone;ethane (CID 177140878) is 1-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)ethanone;ethane.
What is the SMILES notation for 1-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)ethanone;ethane?
The canonical SMILES for 1-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)ethanone;ethane is CC.CC.CC(=O)N1CCC(C)=C(C)C1.
What is the InChIKey of 1-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)ethanone;ethane?
The InChIKey is PYZABVZKXGXUEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO.2C2H6/c1-7-4-5-10(9(3)11)6-8(7)2;2*1-2/h4-6H2,1-3H3;2*1-2H3.
What are the key properties of 1-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)ethanone;ethane?
1-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)ethanone;ethane has a molecular weight of 213.36 g/mol, XLogP of 3.63, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)ethanone;ethane is sourced from PubChem (CID 177140878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).