1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-one

C10H17NO — CID 106316936

IUPAC1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-one
SMILESCCCC(=O)N1CCC=C(C)C1
InChIInChI=1S/C10H17NO/c1-3-5-10(12)11-7-4-6-9(2)8-11/h6H,3-5,7-8H2,1-2H3
InChIKeyNLBWHJXOGXPSCN-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.97
Rot. Bonds2

About 1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-one

1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-one (PubChem CID 106316936) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-one.

Molecular Properties

Compound Name1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-one
PubChem CID106316936
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-one
SMILESCCCC(=O)N1CCC=C(C)C1
InChIInChI=1S/C10H17NO/c1-3-5-10(12)11-7-4-6-9(2)8-11/h6H,3-5,7-8H2,1-2H3
InChIKeyNLBWHJXOGXPSCN-UHFFFAOYSA-N
XLogP1.97
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(3,6-Dihydropyridin-1(2H)-yl)-2-methylpentan-1-one
CID 602332
1-Butyryl-1,2,3,6-tetrahydropyridine
CID 579185
2-Pyrrolidinone, 1-(3,7,11-trimethyl-2,6,10-dodecatrienyl)-, (E,E)-
CID 6442887
2,2-dimethyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
CID 115772182
1-(3-Methylidene-2,6-dihydropyridin-1-yl)ethanone
CID 14140227
l-Geranylazacyclopentan-2-one
CID 24875474
1,5-Dimethyl-2,3-dihydropyridin-6-one
CID 89095909
2,2,2-trifluoro-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanone
CID 115768355
4,4,4-trifluoro-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-one
CID 121451616
3,3,3-trifluoro-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one
CID 121451628
2-fluoro-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)prop-2-en-1-one
CID 137535247
ethane;3,3,3-trifluoro-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one
CID 144802145

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-one?
The IUPAC name of 1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-one (CID 106316936) is 1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-one.
What is the SMILES notation for 1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-one?
The canonical SMILES for 1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-one is CCCC(=O)N1CCC=C(C)C1.
What is the InChIKey of 1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-one?
The InChIKey is NLBWHJXOGXPSCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-3-5-10(12)11-7-4-6-9(2)8-11/h6H,3-5,7-8H2,1-2H3.
What are the key properties of 1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-one?
1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-one has a molecular weight of 167.25 g/mol, XLogP of 1.97, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-one is sourced from PubChem (CID 106316936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).