3-[(E)-3-cyclohexylprop-2-enoyl]-1,4,5,6-tetramethylpyridin-2-one

C18H25NO2 — CID 58710135

IUPAC3-[(E)-3-cyclohexylprop-2-enoyl]-1,4,5,6-tetramethylpyridin-2-one
SMILESCc1c(C)c(C)n(C)c(=O)c1C(=O)/C=C/C1CCCCC1
InChIInChI=1S/C18H25NO2/c1-12-13(2)17(18(21)19(4)14(12)3)16(20)11-10-15-8-6-5-7-9-15/h10-11,15H,5-9H2,1-4H3/b11-10+
InChIKeyIILSDBGNHSVEJQ-ZHACJKMWSA-N
MW287.40 g/mol
LogP3.63
Rot. Bonds3

About 3-[(E)-3-cyclohexylprop-2-enoyl]-1,4,5,6-tetramethylpyridin-2-one

3-[(E)-3-cyclohexylprop-2-enoyl]-1,4,5,6-tetramethylpyridin-2-one (PubChem CID 58710135) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is 3-[(E)-3-cyclohexylprop-2-enoyl]-1,4,5,6-tetramethylpyridin-2-one.

Molecular Properties

Compound Name3-[(E)-3-cyclohexylprop-2-enoyl]-1,4,5,6-tetramethylpyridin-2-one
PubChem CID58710135
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name3-[(E)-3-cyclohexylprop-2-enoyl]-1,4,5,6-tetramethylpyridin-2-one
SMILESCc1c(C)c(C)n(C)c(=O)c1C(=O)/C=C/C1CCCCC1
InChIInChI=1S/C18H25NO2/c1-12-13(2)17(18(21)19(4)14(12)3)16(20)11-10-15-8-6-5-7-9-15/h10-11,15H,5-9H2,1-4H3/b11-10+
InChIKeyIILSDBGNHSVEJQ-ZHACJKMWSA-N
XLogP3.63
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 3-[(E)-3-cyclohexylprop-2-enoyl]-1,4,5,6-tetramethylpyridin-2-one?
The IUPAC name of 3-[(E)-3-cyclohexylprop-2-enoyl]-1,4,5,6-tetramethylpyridin-2-one (CID 58710135) is 3-[(E)-3-cyclohexylprop-2-enoyl]-1,4,5,6-tetramethylpyridin-2-one.
What is the SMILES notation for 3-[(E)-3-cyclohexylprop-2-enoyl]-1,4,5,6-tetramethylpyridin-2-one?
The canonical SMILES for 3-[(E)-3-cyclohexylprop-2-enoyl]-1,4,5,6-tetramethylpyridin-2-one is Cc1c(C)c(C)n(C)c(=O)c1C(=O)/C=C/C1CCCCC1.
What is the InChIKey of 3-[(E)-3-cyclohexylprop-2-enoyl]-1,4,5,6-tetramethylpyridin-2-one?
The InChIKey is IILSDBGNHSVEJQ-ZHACJKMWSA-N. The full InChI is InChI=1S/C18H25NO2/c1-12-13(2)17(18(21)19(4)14(12)3)16(20)11-10-15-8-6-5-7-9-15/h10-11,15H,5-9H2,1-4H3/b11-10+.
What are the key properties of 3-[(E)-3-cyclohexylprop-2-enoyl]-1,4,5,6-tetramethylpyridin-2-one?
3-[(E)-3-cyclohexylprop-2-enoyl]-1,4,5,6-tetramethylpyridin-2-one has a molecular weight of 287.40 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-3-cyclohexylprop-2-enoyl]-1,4,5,6-tetramethylpyridin-2-one is sourced from PubChem (CID 58710135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).