1-(6-methyl-1,2,3,6-tetrahydropyridin-5-yl)propan-1-one

C9H15NO — CID 91609628

IUPAC1-(6-methyl-1,2,3,6-tetrahydropyridin-5-yl)propan-1-one
SMILESCCC(=O)C1=CCCNC1C
InChIInChI=1S/C9H15NO/c1-3-9(11)8-5-4-6-10-7(8)2/h5,7,10H,3-4,6H2,1-2H3
InChIKeyVMHIXGUTHKCLKR-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.27
Rot. Bonds2

About 1-(6-methyl-1,2,3,6-tetrahydropyridin-5-yl)propan-1-one

1-(6-methyl-1,2,3,6-tetrahydropyridin-5-yl)propan-1-one (PubChem CID 91609628) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 1-(6-methyl-1,2,3,6-tetrahydropyridin-5-yl)propan-1-one.

Molecular Properties

Compound Name1-(6-methyl-1,2,3,6-tetrahydropyridin-5-yl)propan-1-one
PubChem CID91609628
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name1-(6-methyl-1,2,3,6-tetrahydropyridin-5-yl)propan-1-one
SMILESCCC(=O)C1=CCCNC1C
InChIInChI=1S/C9H15NO/c1-3-9(11)8-5-4-6-10-7(8)2/h5,7,10H,3-4,6H2,1-2H3
InChIKeyVMHIXGUTHKCLKR-UHFFFAOYSA-N
XLogP1.27
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 ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methyl-1,2,3,6-tetrahydropyridin-5-yl)propan-1-one?
The IUPAC name of 1-(6-methyl-1,2,3,6-tetrahydropyridin-5-yl)propan-1-one (CID 91609628) is 1-(6-methyl-1,2,3,6-tetrahydropyridin-5-yl)propan-1-one.
What is the SMILES notation for 1-(6-methyl-1,2,3,6-tetrahydropyridin-5-yl)propan-1-one?
The canonical SMILES for 1-(6-methyl-1,2,3,6-tetrahydropyridin-5-yl)propan-1-one is CCC(=O)C1=CCCNC1C.
What is the InChIKey of 1-(6-methyl-1,2,3,6-tetrahydropyridin-5-yl)propan-1-one?
The InChIKey is VMHIXGUTHKCLKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-3-9(11)8-5-4-6-10-7(8)2/h5,7,10H,3-4,6H2,1-2H3.
What are the key properties of 1-(6-methyl-1,2,3,6-tetrahydropyridin-5-yl)propan-1-one?
1-(6-methyl-1,2,3,6-tetrahydropyridin-5-yl)propan-1-one has a molecular weight of 153.22 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methyl-1,2,3,6-tetrahydropyridin-5-yl)propan-1-one is sourced from PubChem (CID 91609628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).