2-methyl-1-pyridin-2-ylhex-4-en-1-one

C12H15NO — CID 131866661

IUPAC2-methyl-1-pyridin-2-ylhex-4-en-1-one
SMILESCC=CCC(C)C(=O)c1ccccn1
InChIInChI=1S/C12H15NO/c1-3-4-7-10(2)12(14)11-8-5-6-9-13-11/h3-6,8-10H,7H2,1-2H3
InChIKeyLCANMMBWQXJORN-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.87
Rot. Bonds4

About 2-methyl-1-pyridin-2-ylhex-4-en-1-one

2-methyl-1-pyridin-2-ylhex-4-en-1-one (PubChem CID 131866661) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 2-methyl-1-pyridin-2-ylhex-4-en-1-one.

Molecular Properties

Compound Name2-methyl-1-pyridin-2-ylhex-4-en-1-one
PubChem CID131866661
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name2-methyl-1-pyridin-2-ylhex-4-en-1-one
SMILESCC=CCC(C)C(=O)c1ccccn1
InChIInChI=1S/C12H15NO/c1-3-4-7-10(2)12(14)11-8-5-6-9-13-11/h3-6,8-10H,7H2,1-2H3
InChIKeyLCANMMBWQXJORN-UHFFFAOYSA-N
XLogP2.87
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4S)-4-amino-2-methyl-5-oxo-5-pyridin-2-ylpentanoic acid
CID 175055439
2,2-diethoxy-1-pyridin-2-ylethanone
CID 13057565
2-anilino-1-pyridin-2-ylpropan-1-one
CID 160887436
5-oxo-2-(pyridine-2-carbonyl)hexanoate
CID 22758234
4-methyl-1-pyridin-2-ylpentane-1,3-dione
CID 63319425
2-amino-3-oxo-3-pyridin-2-ylpropanoic acid
CID 116920563
propan-2-one;1-pyridin-2-ylethanone
CID 158043833
1-pyridin-2-ylethanone;dihydrochloride
CID 174550471
ethane;pyridine-2-carbonyl chloride
CID 158598971
(E)-3-(2-methylpropylamino)-1-pyridin-2-ylprop-2-en-1-one
CID 23591196
3-amino-1-pyridin-2-ylpropan-1-one
CID 45079500
(3S)-3-amino-4-methyl-1-pyridin-2-ylpentan-1-one
CID 89242036

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-pyridin-2-ylhex-4-en-1-one?
The IUPAC name of 2-methyl-1-pyridin-2-ylhex-4-en-1-one (CID 131866661) is 2-methyl-1-pyridin-2-ylhex-4-en-1-one.
What is the SMILES notation for 2-methyl-1-pyridin-2-ylhex-4-en-1-one?
The canonical SMILES for 2-methyl-1-pyridin-2-ylhex-4-en-1-one is CC=CCC(C)C(=O)c1ccccn1.
What is the InChIKey of 2-methyl-1-pyridin-2-ylhex-4-en-1-one?
The InChIKey is LCANMMBWQXJORN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-3-4-7-10(2)12(14)11-8-5-6-9-13-11/h3-6,8-10H,7H2,1-2H3.
What are the key properties of 2-methyl-1-pyridin-2-ylhex-4-en-1-one?
2-methyl-1-pyridin-2-ylhex-4-en-1-one has a molecular weight of 189.26 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-pyridin-2-ylhex-4-en-1-one is sourced from PubChem (CID 131866661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).