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

C9H15NO — CID 106316937

IUPAC1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one
SMILESCCC(=O)N1CCC=C(C)C1
InChIInChI=1S/C9H15NO/c1-3-9(11)10-6-4-5-8(2)7-10/h5H,3-4,6-7H2,1-2H3
InChIKeyPVRWEAMOSFQDNT-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.58
Rot. Bonds1

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

1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one (PubChem CID 106316937) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one
PubChem CID106316937
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one
SMILESCCC(=O)N1CCC=C(C)C1
InChIInChI=1S/C9H15NO/c1-3-9(11)10-6-4-5-8(2)7-10/h5H,3-4,6-7H2,1-2H3
InChIKeyPVRWEAMOSFQDNT-UHFFFAOYSA-N
XLogP1.58
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.58
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

ethyl 5-methyl-3,6-dihydro-2H-pyridine-1-carboxylate
CID 106316934
6-amino-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)hexan-1-one
CID 106313917
4-amino-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)pentan-1-one
CID 106314057
2-chloro-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one
CID 106313518
2-amino-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)hexan-1-one
CID 106313945
5-amino-1-[2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-oxoethyl]pyridin-2-one
CID 106313226
(3,5-dihydroxyphenyl)-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 106314401
4-(dimethylamino)-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)but-2-en-1-one
CID 90739083
1-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)cyclobutane-1-carboxylic acid
CID 106316274
2-methyl-3-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-3-oxopropanenitrile
CID 106314149
1-methyl-4-propanoylpiperazin-2-one
CID 64693548
(2R)-3-hydroxy-2-[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]propanoic acid
CID 106315919

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one?
The IUPAC name of 1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one (CID 106316937) is 1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one.
What is the SMILES notation for 1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one?
The canonical SMILES for 1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one is CCC(=O)N1CCC=C(C)C1.
What is the InChIKey of 1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one?
The InChIKey is PVRWEAMOSFQDNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-3-9(11)10-6-4-5-8(2)7-10/h5H,3-4,6-7H2,1-2H3.
What are the key properties of 1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one?
1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one has a molecular weight of 153.22 g/mol, XLogP of 1.58, 1 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)propan-1-one is sourced from PubChem (CID 106316937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).