1-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)ethanone

C10H17NO — CID 45086400

IUPAC1-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)ethanone
SMILESCCCN1CCC=C(C(C)=O)C1
InChIInChI=1S/C10H17NO/c1-3-6-11-7-4-5-10(8-11)9(2)12/h5H,3-4,6-8H2,1-2H3
InChIKeySLZNXZJJJWHDSC-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.62
Rot. Bonds3

About 1-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)ethanone

1-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)ethanone (PubChem CID 45086400) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 1-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)ethanone.

Molecular Properties

Compound Name1-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)ethanone
PubChem CID45086400
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name1-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)ethanone
SMILESCCCN1CCC=C(C(C)=O)C1
InChIInChI=1S/C10H17NO/c1-3-6-11-7-4-5-10(8-11)9(2)12/h5H,3-4,6-8H2,1-2H3
InChIKeySLZNXZJJJWHDSC-UHFFFAOYSA-N
XLogP1.62
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Isoarecolone methiodide
CID 146968
Isoarecolone
CID 146970
1-(1,2,5,6-Tetrahydro-1-methyl-3-pyridinyl)-1-propanone
CID 10176226
1-(1-Methyl-1,2,5,6-tetrahydro-3-pyridinyl)ethanone
CID 10975568
1-(1-Methyl-1,2,5,6-tetrahydropyridin-3-yl)butan-1-one
CID 15048512
1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)but-2-yn-1-one
CID 15048515
1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)pentan-1-one
CID 15598809
1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propan-1-one
CID 21757403
1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)butan-1-one
CID 21757449
1-(1-Ethyl-1,2,3,6-tetrahydro-pyridin-4-yl)-ethanone
CID 44335203
1-Methyl-1-(5-methyl-3-oxohex-4-en-1-yl)piperidin-1-ium iodide
CID 3024589
4-Acetyl-1,1-dimethyl-1,2,3,6-tetrahydro-pyridinium; iodide
CID 146969

Frequently Asked Questions

What is the IUPAC name of 1-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)ethanone?
The IUPAC name of 1-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)ethanone (CID 45086400) is 1-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)ethanone.
What is the SMILES notation for 1-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)ethanone?
The canonical SMILES for 1-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)ethanone is CCCN1CCC=C(C(C)=O)C1.
What is the InChIKey of 1-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)ethanone?
The InChIKey is SLZNXZJJJWHDSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-3-6-11-7-4-5-10(8-11)9(2)12/h5H,3-4,6-8H2,1-2H3.
What are the key properties of 1-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)ethanone?
1-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)ethanone has a molecular weight of 167.25 g/mol, XLogP of 1.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)ethanone is sourced from PubChem (CID 45086400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).