3-methyl-6-octyl-5-propan-2-yl-1H-pyrazin-2-one

C16H28N2O — CID 134914218

IUPAC3-methyl-6-octyl-5-propan-2-yl-1H-pyrazin-2-one
SMILESCCCCCCCCc1[nH]c(=O)c(C)nc1C(C)C
InChIInChI=1S/C16H28N2O/c1-5-6-7-8-9-10-11-14-15(12(2)3)17-13(4)16(19)18-14/h12H,5-11H2,1-4H3,(H,18,19)
InChIKeyWWOZCWHZQSNALX-UHFFFAOYSA-N
MW264.41 g/mol
LogP4.10
Rot. Bonds8

About 3-methyl-6-octyl-5-propan-2-yl-1H-pyrazin-2-one

3-methyl-6-octyl-5-propan-2-yl-1H-pyrazin-2-one (PubChem CID 134914218) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 3-methyl-6-octyl-5-propan-2-yl-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-methyl-6-octyl-5-propan-2-yl-1H-pyrazin-2-one
PubChem CID134914218
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name3-methyl-6-octyl-5-propan-2-yl-1H-pyrazin-2-one
SMILESCCCCCCCCc1[nH]c(=O)c(C)nc1C(C)C
InChIInChI=1S/C16H28N2O/c1-5-6-7-8-9-10-11-14-15(12(2)3)17-13(4)16(19)18-14/h12H,5-11H2,1-4H3,(H,18,19)
InChIKeyWWOZCWHZQSNALX-UHFFFAOYSA-N
XLogP4.10
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-5-pentyl-1,3-dihydroimidazol-2-one
CID 13478903
2-hexyl-4-methyl-6-oxo-1H-pyrimidine-5-carboxylic acid
CID 136951222
4-hydroxy-5-undecyl-1,3-dihydroimidazol-2-one
CID 54149435
1-(2-decyl-5-methyl-1H-imidazol-4-yl)ethanamine
CID 141279063
3-amino-6-hexyl-4-methyl-5-phenyl-1H-pyridin-2-one
CID 70277732
2-amino-4-ethyl-5-hexyl-1H-pyrimidin-6-one
CID 136955171
4-butyl-5-methyl-1,3-dihydroimidazol-2-one
CID 13478904
5-ethyl-4-sulfanylidene-6-tetradecyl-1H-pyrimidin-2-one
CID 125483893
5,6-dibutyl-4-ethyl-3-methyl-1H-pyridin-2-one
CID 175267375
2-(2-decyl-5-ethyl-1H-imidazol-4-yl)propanenitrile
CID 139791027
ethyl 2-methyl-5-tridecyl-1H-imidazole-4-carboxylate
CID 59079325
2-(2-heptyl-5-methyl-1H-imidazol-4-yl)propanenitrile
CID 139791034

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-octyl-5-propan-2-yl-1H-pyrazin-2-one?
The IUPAC name of 3-methyl-6-octyl-5-propan-2-yl-1H-pyrazin-2-one (CID 134914218) is 3-methyl-6-octyl-5-propan-2-yl-1H-pyrazin-2-one.
What is the SMILES notation for 3-methyl-6-octyl-5-propan-2-yl-1H-pyrazin-2-one?
The canonical SMILES for 3-methyl-6-octyl-5-propan-2-yl-1H-pyrazin-2-one is CCCCCCCCc1[nH]c(=O)c(C)nc1C(C)C.
What is the InChIKey of 3-methyl-6-octyl-5-propan-2-yl-1H-pyrazin-2-one?
The InChIKey is WWOZCWHZQSNALX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-5-6-7-8-9-10-11-14-15(12(2)3)17-13(4)16(19)18-14/h12H,5-11H2,1-4H3,(H,18,19).
What are the key properties of 3-methyl-6-octyl-5-propan-2-yl-1H-pyrazin-2-one?
3-methyl-6-octyl-5-propan-2-yl-1H-pyrazin-2-one has a molecular weight of 264.41 g/mol, XLogP of 4.10, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-octyl-5-propan-2-yl-1H-pyrazin-2-one is sourced from PubChem (CID 134914218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).