4-ethyl-3-(4-methyl-2-methylidene-1-pyridinyl)hex-3-en-2-one

C15H21NO — CID 163392387

IUPAC4-ethyl-3-(4-methyl-2-methylidene-1-pyridinyl)hex-3-en-2-one
SMILESC=C1C=C(C)C=CN1C(C(C)=O)=C(CC)CC
InChIInChI=1S/C15H21NO/c1-6-14(7-2)15(13(5)17)16-9-8-11(3)10-12(16)4/h8-10H,4,6-7H2,1-3,5H3
InChIKeyLFKFSLSMLSXTNM-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.94
Rot. Bonds4

About 4-ethyl-3-(4-methyl-2-methylidene-1-pyridinyl)hex-3-en-2-one

4-ethyl-3-(4-methyl-2-methylidene-1-pyridinyl)hex-3-en-2-one (PubChem CID 163392387) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 4-ethyl-3-(4-methyl-2-methylidene-1-pyridinyl)hex-3-en-2-one.

Molecular Properties

Compound Name4-ethyl-3-(4-methyl-2-methylidene-1-pyridinyl)hex-3-en-2-one
PubChem CID163392387
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name4-ethyl-3-(4-methyl-2-methylidene-1-pyridinyl)hex-3-en-2-one
SMILESC=C1C=C(C)C=CN1C(C(C)=O)=C(CC)CC
InChIInChI=1S/C15H21NO/c1-6-14(7-2)15(13(5)17)16-9-8-11(3)10-12(16)4/h8-10H,4,6-7H2,1-3,5H3
InChIKeyLFKFSLSMLSXTNM-UHFFFAOYSA-N
XLogP3.94
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-(4-methyl-2-methylidene-1-pyridinyl)hex-3-en-2-one?
The IUPAC name of 4-ethyl-3-(4-methyl-2-methylidene-1-pyridinyl)hex-3-en-2-one (CID 163392387) is 4-ethyl-3-(4-methyl-2-methylidene-1-pyridinyl)hex-3-en-2-one.
What is the SMILES notation for 4-ethyl-3-(4-methyl-2-methylidene-1-pyridinyl)hex-3-en-2-one?
The canonical SMILES for 4-ethyl-3-(4-methyl-2-methylidene-1-pyridinyl)hex-3-en-2-one is C=C1C=C(C)C=CN1C(C(C)=O)=C(CC)CC.
What is the InChIKey of 4-ethyl-3-(4-methyl-2-methylidene-1-pyridinyl)hex-3-en-2-one?
The InChIKey is LFKFSLSMLSXTNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-6-14(7-2)15(13(5)17)16-9-8-11(3)10-12(16)4/h8-10H,4,6-7H2,1-3,5H3.
What are the key properties of 4-ethyl-3-(4-methyl-2-methylidene-1-pyridinyl)hex-3-en-2-one?
4-ethyl-3-(4-methyl-2-methylidene-1-pyridinyl)hex-3-en-2-one has a molecular weight of 231.34 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-(4-methyl-2-methylidene-1-pyridinyl)hex-3-en-2-one is sourced from PubChem (CID 163392387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).