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

C9H15NO — CID 144518232

IUPAC1-(2-methyl-1,2,3,4-tetrahydropyridin-3-yl)propan-2-one
SMILESCC(=O)CC1CC=CNC1C
InChIInChI=1S/C9H15NO/c1-7(11)6-9-4-3-5-10-8(9)2/h3,5,8-10H,4,6H2,1-2H3
InChIKeyNBBCNFJFAFZGGT-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.48
Rot. Bonds2

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

1-(2-methyl-1,2,3,4-tetrahydropyridin-3-yl)propan-2-one (PubChem CID 144518232) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 1-(2-methyl-1,2,3,4-tetrahydropyridin-3-yl)propan-2-one.

Molecular Properties

Compound Name1-(2-methyl-1,2,3,4-tetrahydropyridin-3-yl)propan-2-one
PubChem CID144518232
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name1-(2-methyl-1,2,3,4-tetrahydropyridin-3-yl)propan-2-one
SMILESCC(=O)CC1CC=CNC1C
InChIInChI=1S/C9H15NO/c1-7(11)6-9-4-3-5-10-8(9)2/h3,5,8-10H,4,6H2,1-2H3
InChIKeyNBBCNFJFAFZGGT-UHFFFAOYSA-N
XLogP1.48
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 ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-1,2,3,4-tetrahydropyridin-3-yl)propan-2-one?
The IUPAC name of 1-(2-methyl-1,2,3,4-tetrahydropyridin-3-yl)propan-2-one (CID 144518232) is 1-(2-methyl-1,2,3,4-tetrahydropyridin-3-yl)propan-2-one.
What is the SMILES notation for 1-(2-methyl-1,2,3,4-tetrahydropyridin-3-yl)propan-2-one?
The canonical SMILES for 1-(2-methyl-1,2,3,4-tetrahydropyridin-3-yl)propan-2-one is CC(=O)CC1CC=CNC1C.
What is the InChIKey of 1-(2-methyl-1,2,3,4-tetrahydropyridin-3-yl)propan-2-one?
The InChIKey is NBBCNFJFAFZGGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-7(11)6-9-4-3-5-10-8(9)2/h3,5,8-10H,4,6H2,1-2H3.
What are the key properties of 1-(2-methyl-1,2,3,4-tetrahydropyridin-3-yl)propan-2-one?
1-(2-methyl-1,2,3,4-tetrahydropyridin-3-yl)propan-2-one has a molecular weight of 153.22 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-1,2,3,4-tetrahydropyridin-3-yl)propan-2-one is sourced from PubChem (CID 144518232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).