2-methyl-1-(1,2,3,6-tetrahydropyridin-4-yl)propan-1-one

C9H15NO — CID 135165455

IUPAC2-methyl-1-(1,2,3,6-tetrahydropyridin-4-yl)propan-1-one
SMILESCC(C)C(=O)C1=CCNCC1
InChIInChI=1S/C9H15NO/c1-7(2)9(11)8-3-5-10-6-4-8/h3,7,10H,4-6H2,1-2H3
InChIKeyZYDWFRDAMLZRSE-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.13
Rot. Bonds2

About 2-methyl-1-(1,2,3,6-tetrahydropyridin-4-yl)propan-1-one

2-methyl-1-(1,2,3,6-tetrahydropyridin-4-yl)propan-1-one (PubChem CID 135165455) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 2-methyl-1-(1,2,3,6-tetrahydropyridin-4-yl)propan-1-one.

Molecular Properties

Compound Name2-methyl-1-(1,2,3,6-tetrahydropyridin-4-yl)propan-1-one
PubChem CID135165455
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name2-methyl-1-(1,2,3,6-tetrahydropyridin-4-yl)propan-1-one
SMILESCC(C)C(=O)C1=CCNCC1
InChIInChI=1S/C9H15NO/c1-7(2)9(11)8-3-5-10-6-4-8/h3,7,10H,4-6H2,1-2H3
InChIKeyZYDWFRDAMLZRSE-UHFFFAOYSA-N
XLogP1.13
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(1,2,3,6-tetrahydropyridin-4-yl)propan-1-one?
The IUPAC name of 2-methyl-1-(1,2,3,6-tetrahydropyridin-4-yl)propan-1-one (CID 135165455) is 2-methyl-1-(1,2,3,6-tetrahydropyridin-4-yl)propan-1-one.
What is the SMILES notation for 2-methyl-1-(1,2,3,6-tetrahydropyridin-4-yl)propan-1-one?
The canonical SMILES for 2-methyl-1-(1,2,3,6-tetrahydropyridin-4-yl)propan-1-one is CC(C)C(=O)C1=CCNCC1.
What is the InChIKey of 2-methyl-1-(1,2,3,6-tetrahydropyridin-4-yl)propan-1-one?
The InChIKey is ZYDWFRDAMLZRSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-7(2)9(11)8-3-5-10-6-4-8/h3,7,10H,4-6H2,1-2H3.
What are the key properties of 2-methyl-1-(1,2,3,6-tetrahydropyridin-4-yl)propan-1-one?
2-methyl-1-(1,2,3,6-tetrahydropyridin-4-yl)propan-1-one has a molecular weight of 153.22 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(1,2,3,6-tetrahydropyridin-4-yl)propan-1-one is sourced from PubChem (CID 135165455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).