3-methyl-2-[(E)-oct-4-en-4-yl]pyrimidin-4-one

C13H20N2O — CID 102163879

IUPAC3-methyl-2-[(E)-oct-4-en-4-yl]pyrimidin-4-one
SMILESCCC/C=C(\CCC)c1nccc(=O)n1C
InChIInChI=1S/C13H20N2O/c1-4-6-8-11(7-5-2)13-14-10-9-12(16)15(13)3/h8-10H,4-7H2,1-3H3/b11-8+
InChIKeyHVIMXZWPXZXBRQ-DHZHZOJOSA-N
MW220.32 g/mol
LogP2.76
Rot. Bonds5

About 3-methyl-2-[(E)-oct-4-en-4-yl]pyrimidin-4-one

3-methyl-2-[(E)-oct-4-en-4-yl]pyrimidin-4-one (PubChem CID 102163879) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 3-methyl-2-[(E)-oct-4-en-4-yl]pyrimidin-4-one.

Molecular Properties

Compound Name3-methyl-2-[(E)-oct-4-en-4-yl]pyrimidin-4-one
PubChem CID102163879
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name3-methyl-2-[(E)-oct-4-en-4-yl]pyrimidin-4-one
SMILESCCC/C=C(\CCC)c1nccc(=O)n1C
InChIInChI=1S/C13H20N2O/c1-4-6-8-11(7-5-2)13-14-10-9-12(16)15(13)3/h8-10H,4-7H2,1-3H3/b11-8+
InChIKeyHVIMXZWPXZXBRQ-DHZHZOJOSA-N
XLogP2.76
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-Methyl-2-propyl-4H-pyrido[1,2-a]pyrimidin-4-one
CID 12339718
1,4-dipropyl-4H-pyrrolo[2,3-b]pyridin-2-one
CID 17804324
7,9-Dimethylpyrido[1,2-a]pyrimidin-4-one
CID 20347980
9-Ethylpyrido[1,2-a]pyrimidin-4-one
CID 20347986
2-Pentyl-9-prop-2-enylpyrido[1,2-a]pyrimidin-4-one
CID 70520307
2-methyl-7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one
CID 89740621
3-Butyl-9-methylpyrido[1,2-a]pyrimidin-4-one
CID 90084628
3,7-Diazatricyclo[7.2.2.02,7]trideca-1(11),2,4,9-tetraen-6-one
CID 123558010
7-(1-Ethylpiperidin-4-yl)-9-methylpyrido[1,2-a]pyrimidin-4-one
CID 130339616
1-[C-(2-ethenylcyclohexa-1,5-dien-1-yl)-N-methylcarbonimidoyl]-5-methylpyridin-2-one
CID 142236911
3,8-Diethylpyrido[1,2-a]pyrimidin-4-one
CID 166703497
2-Amino-9-ethyl-3-methylpyrido[1,2-a]pyrimidin-4-one;ethane
CID 168202488

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(E)-oct-4-en-4-yl]pyrimidin-4-one?
The IUPAC name of 3-methyl-2-[(E)-oct-4-en-4-yl]pyrimidin-4-one (CID 102163879) is 3-methyl-2-[(E)-oct-4-en-4-yl]pyrimidin-4-one.
What is the SMILES notation for 3-methyl-2-[(E)-oct-4-en-4-yl]pyrimidin-4-one?
The canonical SMILES for 3-methyl-2-[(E)-oct-4-en-4-yl]pyrimidin-4-one is CCC/C=C(\CCC)c1nccc(=O)n1C.
What is the InChIKey of 3-methyl-2-[(E)-oct-4-en-4-yl]pyrimidin-4-one?
The InChIKey is HVIMXZWPXZXBRQ-DHZHZOJOSA-N. The full InChI is InChI=1S/C13H20N2O/c1-4-6-8-11(7-5-2)13-14-10-9-12(16)15(13)3/h8-10H,4-7H2,1-3H3/b11-8+.
What are the key properties of 3-methyl-2-[(E)-oct-4-en-4-yl]pyrimidin-4-one?
3-methyl-2-[(E)-oct-4-en-4-yl]pyrimidin-4-one has a molecular weight of 220.32 g/mol, XLogP of 2.76, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(E)-oct-4-en-4-yl]pyrimidin-4-one is sourced from PubChem (CID 102163879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).