1-(2,5,6-trimethyl-3,4-dihydro-2H-pyridin-1-yl)ethanone

C10H17NO — CID 123425890

IUPAC1-(2,5,6-trimethyl-3,4-dihydro-2H-pyridin-1-yl)ethanone
SMILESCC(=O)N1C(C)=C(C)CCC1C
InChIInChI=1S/C10H17NO/c1-7-5-6-8(2)11(9(7)3)10(4)12/h8H,5-6H2,1-4H3
InChIKeyDUSTXUQWTVDEBG-UHFFFAOYSA-N
MW167.25 g/mol
LogP2.31
Rot. Bonds

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

1-(2,5,6-trimethyl-3,4-dihydro-2H-pyridin-1-yl)ethanone (PubChem CID 123425890) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 1-(2,5,6-trimethyl-3,4-dihydro-2H-pyridin-1-yl)ethanone.

Molecular Properties

Compound Name1-(2,5,6-trimethyl-3,4-dihydro-2H-pyridin-1-yl)ethanone
PubChem CID123425890
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name1-(2,5,6-trimethyl-3,4-dihydro-2H-pyridin-1-yl)ethanone
SMILESCC(=O)N1C(C)=C(C)CCC1C
InChIInChI=1S/C10H17NO/c1-7-5-6-8(2)11(9(7)3)10(4)12/h8H,5-6H2,1-4H3
InChIKeyDUSTXUQWTVDEBG-UHFFFAOYSA-N
XLogP2.31
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5,6-trimethyl-3,4-dihydro-2H-pyridin-1-yl)ethanone?
The IUPAC name of 1-(2,5,6-trimethyl-3,4-dihydro-2H-pyridin-1-yl)ethanone (CID 123425890) is 1-(2,5,6-trimethyl-3,4-dihydro-2H-pyridin-1-yl)ethanone.
What is the SMILES notation for 1-(2,5,6-trimethyl-3,4-dihydro-2H-pyridin-1-yl)ethanone?
The canonical SMILES for 1-(2,5,6-trimethyl-3,4-dihydro-2H-pyridin-1-yl)ethanone is CC(=O)N1C(C)=C(C)CCC1C.
What is the InChIKey of 1-(2,5,6-trimethyl-3,4-dihydro-2H-pyridin-1-yl)ethanone?
The InChIKey is DUSTXUQWTVDEBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-7-5-6-8(2)11(9(7)3)10(4)12/h8H,5-6H2,1-4H3.
What are the key properties of 1-(2,5,6-trimethyl-3,4-dihydro-2H-pyridin-1-yl)ethanone?
1-(2,5,6-trimethyl-3,4-dihydro-2H-pyridin-1-yl)ethanone has a molecular weight of 167.25 g/mol, XLogP of 2.31, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5,6-trimethyl-3,4-dihydro-2H-pyridin-1-yl)ethanone is sourced from PubChem (CID 123425890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).