(5E)-1,2-dimethyl-5-(2-methylbutylidene)-2H-pyridin-6-one

C12H19NO — CID 89063961

IUPAC(5E)-1,2-dimethyl-5-(2-methylbutylidene)-2H-pyridin-6-one
SMILESCCC(C)/C=C1\C=CC(C)N(C)C1=O
InChIInChI=1S/C12H19NO/c1-5-9(2)8-11-7-6-10(3)13(4)12(11)14/h6-10H,5H2,1-4H3/b11-8+
InChIKeyRPNWYFBPOUSWKQ-DHZHZOJOSA-N
MW193.29 g/mol
LogP2.38
Rot. Bonds2

About (5E)-1,2-dimethyl-5-(2-methylbutylidene)-2H-pyridin-6-one

(5E)-1,2-dimethyl-5-(2-methylbutylidene)-2H-pyridin-6-one (PubChem CID 89063961) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is (5E)-1,2-dimethyl-5-(2-methylbutylidene)-2H-pyridin-6-one.

Molecular Properties

Compound Name(5E)-1,2-dimethyl-5-(2-methylbutylidene)-2H-pyridin-6-one
PubChem CID89063961
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name(5E)-1,2-dimethyl-5-(2-methylbutylidene)-2H-pyridin-6-one
SMILESCCC(C)/C=C1\C=CC(C)N(C)C1=O
InChIInChI=1S/C12H19NO/c1-5-9(2)8-11-7-6-10(3)13(4)12(11)14/h6-10H,5H2,1-4H3/b11-8+
InChIKeyRPNWYFBPOUSWKQ-DHZHZOJOSA-N
XLogP2.38
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 (5E)-1,2-dimethyl-5-(2-methylbutylidene)-2H-pyridin-6-one?
The IUPAC name of (5E)-1,2-dimethyl-5-(2-methylbutylidene)-2H-pyridin-6-one (CID 89063961) is (5E)-1,2-dimethyl-5-(2-methylbutylidene)-2H-pyridin-6-one.
What is the SMILES notation for (5E)-1,2-dimethyl-5-(2-methylbutylidene)-2H-pyridin-6-one?
The canonical SMILES for (5E)-1,2-dimethyl-5-(2-methylbutylidene)-2H-pyridin-6-one is CCC(C)/C=C1\C=CC(C)N(C)C1=O.
What is the InChIKey of (5E)-1,2-dimethyl-5-(2-methylbutylidene)-2H-pyridin-6-one?
The InChIKey is RPNWYFBPOUSWKQ-DHZHZOJOSA-N. The full InChI is InChI=1S/C12H19NO/c1-5-9(2)8-11-7-6-10(3)13(4)12(11)14/h6-10H,5H2,1-4H3/b11-8+.
What are the key properties of (5E)-1,2-dimethyl-5-(2-methylbutylidene)-2H-pyridin-6-one?
(5E)-1,2-dimethyl-5-(2-methylbutylidene)-2H-pyridin-6-one has a molecular weight of 193.29 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-1,2-dimethyl-5-(2-methylbutylidene)-2H-pyridin-6-one is sourced from PubChem (CID 89063961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).