3-methylidene-1-(2-methyl-4-pyridinyl)pentan-1-one

C12H15NO — CID 106754699

IUPAC3-methylidene-1-(2-methyl-4-pyridinyl)pentan-1-one
SMILESC=C(CC)CC(=O)c1ccnc(C)c1
InChIInChI=1S/C12H15NO/c1-4-9(2)7-12(14)11-5-6-13-10(3)8-11/h5-6,8H,2,4,7H2,1,3H3
InChIKeyFRLQPPAPXOPYHK-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.93
Rot. Bonds4

About 3-methylidene-1-(2-methyl-4-pyridinyl)pentan-1-one

3-methylidene-1-(2-methyl-4-pyridinyl)pentan-1-one (PubChem CID 106754699) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 3-methylidene-1-(2-methyl-4-pyridinyl)pentan-1-one.

Molecular Properties

Compound Name3-methylidene-1-(2-methyl-4-pyridinyl)pentan-1-one
PubChem CID106754699
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name3-methylidene-1-(2-methyl-4-pyridinyl)pentan-1-one
SMILESC=C(CC)CC(=O)c1ccnc(C)c1
InChIInChI=1S/C12H15NO/c1-4-9(2)7-12(14)11-5-6-13-10(3)8-11/h5-6,8H,2,4,7H2,1,3H3
InChIKeyFRLQPPAPXOPYHK-UHFFFAOYSA-N
XLogP2.93
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 ≤ 52.93
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

1-(2-methyl-4-pyridinyl)but-3-en-1-one
CID 106754566
1-(2-methyl-4-pyridinyl)but-3-yn-1-one
CID 106754540
1-(2-methyl-4-pyridinyl)hexadecan-1-one
CID 142775906
2-methyl-N-(pentan-3-ylideneamino)pyridine-4-carboxamide
CID 121001993
3-methylidene-1-pyrimidin-2-ylpentan-1-one
CID 66045752
N-(butan-2-ylideneamino)-2-methylpyridine-4-carboxamide
CID 74329809
1-(2-methyl-4-pyridinyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 106754677
methanol;2-methyl-4-prop-1-en-2-ylpyridine
CID 165117502
ethane;2-methyl-4-prop-1-en-2-ylpyridine
CID 166484279
N,2-dimethylpyridine-4-carboxamide;ethane
CID 143416894
dichloromethane;2-methylpyridine-4-carbohydrazide
CID 157362616
N-[2-(ethylamino)ethyl]-2-methylpyridine-4-carboxamide
CID 106753602

Frequently Asked Questions

What is the IUPAC name of 3-methylidene-1-(2-methyl-4-pyridinyl)pentan-1-one?
The IUPAC name of 3-methylidene-1-(2-methyl-4-pyridinyl)pentan-1-one (CID 106754699) is 3-methylidene-1-(2-methyl-4-pyridinyl)pentan-1-one.
What is the SMILES notation for 3-methylidene-1-(2-methyl-4-pyridinyl)pentan-1-one?
The canonical SMILES for 3-methylidene-1-(2-methyl-4-pyridinyl)pentan-1-one is C=C(CC)CC(=O)c1ccnc(C)c1.
What is the InChIKey of 3-methylidene-1-(2-methyl-4-pyridinyl)pentan-1-one?
The InChIKey is FRLQPPAPXOPYHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-4-9(2)7-12(14)11-5-6-13-10(3)8-11/h5-6,8H,2,4,7H2,1,3H3.
What are the key properties of 3-methylidene-1-(2-methyl-4-pyridinyl)pentan-1-one?
3-methylidene-1-(2-methyl-4-pyridinyl)pentan-1-one has a molecular weight of 189.26 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidene-1-(2-methyl-4-pyridinyl)pentan-1-one is sourced from PubChem (CID 106754699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).