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

C15H27NO — CID 134861026

IUPAC1-(2-propyl-2,3,4,5-tetrahydropyridin-6-yl)heptan-3-one
SMILESCCCCC(=O)CCC1=NC(CCC)CCC1
InChIInChI=1S/C15H27NO/c1-3-5-10-15(17)12-11-14-9-6-8-13(16-14)7-4-2/h13H,3-12H2,1-2H3
InChIKeyKTYSUVINBSVLFG-UHFFFAOYSA-N
MW237.39 g/mol
LogP4.32
Rot. Bonds8

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

1-(2-propyl-2,3,4,5-tetrahydropyridin-6-yl)heptan-3-one (PubChem CID 134861026) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is 1-(2-propyl-2,3,4,5-tetrahydropyridin-6-yl)heptan-3-one.

Molecular Properties

Compound Name1-(2-propyl-2,3,4,5-tetrahydropyridin-6-yl)heptan-3-one
PubChem CID134861026
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name1-(2-propyl-2,3,4,5-tetrahydropyridin-6-yl)heptan-3-one
SMILESCCCCC(=O)CCC1=NC(CCC)CCC1
InChIInChI=1S/C15H27NO/c1-3-5-10-15(17)12-11-14-9-6-8-13(16-14)7-4-2/h13H,3-12H2,1-2H3
InChIKeyKTYSUVINBSVLFG-UHFFFAOYSA-N
XLogP4.32
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-Acetyl-2,3,4,5-tetrahydropyridine
CID 520300
1-(6-Methyl-2,3,4,5-tetrahydro-pyridin-2-yl)-propan-2-one
CID 90878365
1-[(2R)-6-methyl-2,3,4,5-tetrahydropyridin-2-yl]propan-2-one
CID 101663292
2-Propionyl-3,4,5,6-tetrahydropyridine
CID 522743
13-Azabicyclo[10.1.0]tridec-12-en-2-one
CID 12637116
1-[(2R)-2-propyl-2,3,4,5-tetrahydropyridin-6-yl]heptan-3-one
CID 134848008
2-[(3-Oxoheptan-2-yl)imino]heptan-3-one
CID 166637369
2-Acetyl-3,4,5,6-tetrahydropyridine Hydrochloride
CID 71313000
3-Cyclohexyliminocyclohexan-1-one
CID 145918566
1-Pyrroline, 2-hexanoyl
CID 529250
1-[(2S)-6-methyl-2,3,4,5-tetrahydropyridin-2-yl]propan-2-one
CID 102173669
4-Decyliminopentan-2-one
CID 20512963

Frequently Asked Questions

What is the IUPAC name of 1-(2-propyl-2,3,4,5-tetrahydropyridin-6-yl)heptan-3-one?
The IUPAC name of 1-(2-propyl-2,3,4,5-tetrahydropyridin-6-yl)heptan-3-one (CID 134861026) is 1-(2-propyl-2,3,4,5-tetrahydropyridin-6-yl)heptan-3-one.
What is the SMILES notation for 1-(2-propyl-2,3,4,5-tetrahydropyridin-6-yl)heptan-3-one?
The canonical SMILES for 1-(2-propyl-2,3,4,5-tetrahydropyridin-6-yl)heptan-3-one is CCCCC(=O)CCC1=NC(CCC)CCC1.
What is the InChIKey of 1-(2-propyl-2,3,4,5-tetrahydropyridin-6-yl)heptan-3-one?
The InChIKey is KTYSUVINBSVLFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-3-5-10-15(17)12-11-14-9-6-8-13(16-14)7-4-2/h13H,3-12H2,1-2H3.
What are the key properties of 1-(2-propyl-2,3,4,5-tetrahydropyridin-6-yl)heptan-3-one?
1-(2-propyl-2,3,4,5-tetrahydropyridin-6-yl)heptan-3-one has a molecular weight of 237.39 g/mol, XLogP of 4.32, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propyl-2,3,4,5-tetrahydropyridin-6-yl)heptan-3-one is sourced from PubChem (CID 134861026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).