1-(2,3,4,5-tetrahydropyridin-6-yl)butan-1-one

C9H15NO — CID 57329291

IUPAC1-(2,3,4,5-tetrahydropyridin-6-yl)butan-1-one
SMILESCCCC(=O)C1=NCCCC1
InChIInChI=1S/C9H15NO/c1-2-5-9(11)8-6-3-4-7-10-8/h2-7H2,1H3
InChIKeyLZGDLOYIDBGMSE-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.98
Rot. Bonds3

About 1-(2,3,4,5-tetrahydropyridin-6-yl)butan-1-one

1-(2,3,4,5-tetrahydropyridin-6-yl)butan-1-one (PubChem CID 57329291) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 1-(2,3,4,5-tetrahydropyridin-6-yl)butan-1-one.

Molecular Properties

Compound Name1-(2,3,4,5-tetrahydropyridin-6-yl)butan-1-one
PubChem CID57329291
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name1-(2,3,4,5-tetrahydropyridin-6-yl)butan-1-one
SMILESCCCC(=O)C1=NCCCC1
InChIInChI=1S/C9H15NO/c1-2-5-9(11)8-6-3-4-7-10-8/h2-7H2,1H3
InChIKeyLZGDLOYIDBGMSE-UHFFFAOYSA-N
XLogP1.98
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3,4,5-tetrahydropyridin-6-yl)butan-1-one?
The IUPAC name of 1-(2,3,4,5-tetrahydropyridin-6-yl)butan-1-one (CID 57329291) is 1-(2,3,4,5-tetrahydropyridin-6-yl)butan-1-one.
What is the SMILES notation for 1-(2,3,4,5-tetrahydropyridin-6-yl)butan-1-one?
The canonical SMILES for 1-(2,3,4,5-tetrahydropyridin-6-yl)butan-1-one is CCCC(=O)C1=NCCCC1.
What is the InChIKey of 1-(2,3,4,5-tetrahydropyridin-6-yl)butan-1-one?
The InChIKey is LZGDLOYIDBGMSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-2-5-9(11)8-6-3-4-7-10-8/h2-7H2,1H3.
What are the key properties of 1-(2,3,4,5-tetrahydropyridin-6-yl)butan-1-one?
1-(2,3,4,5-tetrahydropyridin-6-yl)butan-1-one has a molecular weight of 153.22 g/mol, XLogP of 1.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,4,5-tetrahydropyridin-6-yl)butan-1-one is sourced from PubChem (CID 57329291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).