2-methylidene-1,4,5-tris(2-methylpropyl)-3H-pyridin-6-one

C18H31NO — CID 59139450

IUPAC2-methylidene-1,4,5-tris(2-methylpropyl)-3H-pyridin-6-one
SMILESC=C1CC(CC(C)C)=C(CC(C)C)C(=O)N1CC(C)C
InChIInChI=1S/C18H31NO/c1-12(2)8-16-10-15(7)19(11-14(5)6)18(20)17(16)9-13(3)4/h12-14H,7-11H2,1-6H3
InChIKeyGXTHEYHXPZGUAK-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.78
Rot. Bonds6

About 2-methylidene-1,4,5-tris(2-methylpropyl)-3H-pyridin-6-one

2-methylidene-1,4,5-tris(2-methylpropyl)-3H-pyridin-6-one (PubChem CID 59139450) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is 2-methylidene-1,4,5-tris(2-methylpropyl)-3H-pyridin-6-one.

Molecular Properties

Compound Name2-methylidene-1,4,5-tris(2-methylpropyl)-3H-pyridin-6-one
PubChem CID59139450
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Name2-methylidene-1,4,5-tris(2-methylpropyl)-3H-pyridin-6-one
SMILESC=C1CC(CC(C)C)=C(CC(C)C)C(=O)N1CC(C)C
InChIInChI=1S/C18H31NO/c1-12(2)8-16-10-15(7)19(11-14(5)6)18(20)17(16)9-13(3)4/h12-14H,7-11H2,1-6H3
InChIKeyGXTHEYHXPZGUAK-UHFFFAOYSA-N
XLogP4.78
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-prop-1-en-2-yl-N,N-dipropylcyclohexene-1-carboxamide
CID 10444770
1,3-Dibutyl-6-methylpyridin-2-one
CID 22266491
3-(2-Methylpropyl)-1-propan-2-ylpyridin-2-one
CID 57700410
1,6-Dimethyl-3-(2-methylpropyl)pyridin-2-one
CID 89027268
1-(4-Methylcyclohexa-1,3-dien-1-yl)-4-propan-2-yl-2,3-dihydropyridin-6-one
CID 123524168
1,4-Dimethyl-6-(4-methylpentyl)pyridin-2-one
CID 123825335
N,N-diethyl-4-methyl-2-propan-2-ylidenepentanamide
CID 129206527
N-cyclohexa-1,5-dien-1-yl-N-ethyl-2-methylcyclohexa-1,3-diene-1-carboxamide
CID 132070994
Ethane;1,3,4,5,6-penta(propan-2-yl)pyridin-2-one
CID 159198145
1,3,4,5,6-Penta(propan-2-yl)pyridin-2-one
CID 159198146
Ethane;2-methylpropane;1,3,4,5,6-penta(propan-2-yl)pyridin-2-one
CID 160995370
1-Ethyl-3-(2-methylpropyl)pyridin-2-one
CID 165138729

Frequently Asked Questions

What is the IUPAC name of 2-methylidene-1,4,5-tris(2-methylpropyl)-3H-pyridin-6-one?
The IUPAC name of 2-methylidene-1,4,5-tris(2-methylpropyl)-3H-pyridin-6-one (CID 59139450) is 2-methylidene-1,4,5-tris(2-methylpropyl)-3H-pyridin-6-one.
What is the SMILES notation for 2-methylidene-1,4,5-tris(2-methylpropyl)-3H-pyridin-6-one?
The canonical SMILES for 2-methylidene-1,4,5-tris(2-methylpropyl)-3H-pyridin-6-one is C=C1CC(CC(C)C)=C(CC(C)C)C(=O)N1CC(C)C.
What is the InChIKey of 2-methylidene-1,4,5-tris(2-methylpropyl)-3H-pyridin-6-one?
The InChIKey is GXTHEYHXPZGUAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-12(2)8-16-10-15(7)19(11-14(5)6)18(20)17(16)9-13(3)4/h12-14H,7-11H2,1-6H3.
What are the key properties of 2-methylidene-1,4,5-tris(2-methylpropyl)-3H-pyridin-6-one?
2-methylidene-1,4,5-tris(2-methylpropyl)-3H-pyridin-6-one has a molecular weight of 277.45 g/mol, XLogP of 4.78, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-1,4,5-tris(2-methylpropyl)-3H-pyridin-6-one is sourced from PubChem (CID 59139450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).