5-methyl-1-(1-propyl-3,4-dihydro-2H-pyridin-5-yl)hexan-1-one

C15H27NO — CID 18963370

IUPAC5-methyl-1-(1-propyl-3,4-dihydro-2H-pyridin-5-yl)hexan-1-one
SMILESCCCN1C=C(C(=O)CCCC(C)C)CCC1
InChIInChI=1S/C15H27NO/c1-4-10-16-11-6-8-14(12-16)15(17)9-5-7-13(2)3/h12-13H,4-11H2,1-3H3
InChIKeyNLWOSFXUWLUMCM-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.77
Rot. Bonds7

About 5-methyl-1-(1-propyl-3,4-dihydro-2H-pyridin-5-yl)hexan-1-one

5-methyl-1-(1-propyl-3,4-dihydro-2H-pyridin-5-yl)hexan-1-one (PubChem CID 18963370) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is 5-methyl-1-(1-propyl-3,4-dihydro-2H-pyridin-5-yl)hexan-1-one.

Molecular Properties

Compound Name5-methyl-1-(1-propyl-3,4-dihydro-2H-pyridin-5-yl)hexan-1-one
PubChem CID18963370
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name5-methyl-1-(1-propyl-3,4-dihydro-2H-pyridin-5-yl)hexan-1-one
SMILESCCCN1C=C(C(=O)CCCC(C)C)CCC1
InChIInChI=1S/C15H27NO/c1-4-10-16-11-6-8-14(12-16)15(17)9-5-7-13(2)3/h12-13H,4-11H2,1-3H3
InChIKeyNLWOSFXUWLUMCM-UHFFFAOYSA-N
XLogP3.77
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(1-propyl-3,4-dihydro-2H-pyridin-5-yl)hexan-1-one?
The IUPAC name of 5-methyl-1-(1-propyl-3,4-dihydro-2H-pyridin-5-yl)hexan-1-one (CID 18963370) is 5-methyl-1-(1-propyl-3,4-dihydro-2H-pyridin-5-yl)hexan-1-one.
What is the SMILES notation for 5-methyl-1-(1-propyl-3,4-dihydro-2H-pyridin-5-yl)hexan-1-one?
The canonical SMILES for 5-methyl-1-(1-propyl-3,4-dihydro-2H-pyridin-5-yl)hexan-1-one is CCCN1C=C(C(=O)CCCC(C)C)CCC1.
What is the InChIKey of 5-methyl-1-(1-propyl-3,4-dihydro-2H-pyridin-5-yl)hexan-1-one?
The InChIKey is NLWOSFXUWLUMCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-4-10-16-11-6-8-14(12-16)15(17)9-5-7-13(2)3/h12-13H,4-11H2,1-3H3.
What are the key properties of 5-methyl-1-(1-propyl-3,4-dihydro-2H-pyridin-5-yl)hexan-1-one?
5-methyl-1-(1-propyl-3,4-dihydro-2H-pyridin-5-yl)hexan-1-one has a molecular weight of 237.39 g/mol, XLogP of 3.77, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(1-propyl-3,4-dihydro-2H-pyridin-5-yl)hexan-1-one is sourced from PubChem (CID 18963370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).