5-[4-[(2S)-2-methylbutoxy]phenyl]-1H-pyrazin-2-one

C15H18N2O2 — CID 139653079

IUPAC5-[4-[(2S)-2-methylbutoxy]phenyl]-1H-pyrazin-2-one
SMILESCC[C@H](C)COc1ccc(-c2c[nH]c(=O)cn2)cc1
InChIInChI=1S/C15H18N2O2/c1-3-11(2)10-19-13-6-4-12(5-7-13)14-8-17-15(18)9-16-14/h4-9,11H,3,10H2,1-2H3,(H,17,18)/t11-/m0/s1
InChIKeyCSPSDOIWIDZRDS-NSHDSACASA-N
MW258.32 g/mol
LogP2.86
Rot. Bonds5

About 5-[4-[(2S)-2-methylbutoxy]phenyl]-1H-pyrazin-2-one

5-[4-[(2S)-2-methylbutoxy]phenyl]-1H-pyrazin-2-one (PubChem CID 139653079) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 5-[4-[(2S)-2-methylbutoxy]phenyl]-1H-pyrazin-2-one.

Molecular Properties

Compound Name5-[4-[(2S)-2-methylbutoxy]phenyl]-1H-pyrazin-2-one
PubChem CID139653079
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name5-[4-[(2S)-2-methylbutoxy]phenyl]-1H-pyrazin-2-one
SMILESCC[C@H](C)COc1ccc(-c2c[nH]c(=O)cn2)cc1
InChIInChI=1S/C15H18N2O2/c1-3-11(2)10-19-13-6-4-12(5-7-13)14-8-17-15(18)9-16-14/h4-9,11H,3,10H2,1-2H3,(H,17,18)/t11-/m0/s1
InChIKeyCSPSDOIWIDZRDS-NSHDSACASA-N
XLogP2.86
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-butoxy-2-[4-(2-methylbutoxy)phenyl]pyridine
CID 23180662
2-[4-(2-methylbutoxy)phenyl]-5-octoxypyridine
CID 23181046
5-heptyl-2-[4-(2-methylbutoxy)phenyl]pyridine
CID 67813109
5-[4-(propylamino)phenyl]-1H-pyrazin-2-one
CID 70078823
4-(2-methylbutoxy)-1H-pyridazin-6-one
CID 73013184
4-[(2S)-2-methylbutoxy]phenol
CID 1490310
1-(2-methylbutoxy)-4-(4-propan-2-yloxyphenyl)benzene;3-methylideneoxiran-2-one
CID 18359394
methyl 4-[4-(2-methylbutoxy)phenyl]benzoate
CID 14323845
5-decyl-2-[4-(4-methylhexoxy)phenyl]pyridine
CID 14401544
[4-(2-methylbutoxy)phenyl] propanoate
CID 174669628
[5-[4-[(2S)-2-methylbutoxy]phenyl]pyrazin-2-yl] 4-hex-5-enylbenzoate
CID 54565580
2-[4-(5-methylheptoxy)phenyl]-5-octylpyridine
CID 14401540

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(2S)-2-methylbutoxy]phenyl]-1H-pyrazin-2-one?
The IUPAC name of 5-[4-[(2S)-2-methylbutoxy]phenyl]-1H-pyrazin-2-one (CID 139653079) is 5-[4-[(2S)-2-methylbutoxy]phenyl]-1H-pyrazin-2-one.
What is the SMILES notation for 5-[4-[(2S)-2-methylbutoxy]phenyl]-1H-pyrazin-2-one?
The canonical SMILES for 5-[4-[(2S)-2-methylbutoxy]phenyl]-1H-pyrazin-2-one is CC[C@H](C)COc1ccc(-c2c[nH]c(=O)cn2)cc1.
What is the InChIKey of 5-[4-[(2S)-2-methylbutoxy]phenyl]-1H-pyrazin-2-one?
The InChIKey is CSPSDOIWIDZRDS-NSHDSACASA-N. The full InChI is InChI=1S/C15H18N2O2/c1-3-11(2)10-19-13-6-4-12(5-7-13)14-8-17-15(18)9-16-14/h4-9,11H,3,10H2,1-2H3,(H,17,18)/t11-/m0/s1.
What are the key properties of 5-[4-[(2S)-2-methylbutoxy]phenyl]-1H-pyrazin-2-one?
5-[4-[(2S)-2-methylbutoxy]phenyl]-1H-pyrazin-2-one has a molecular weight of 258.32 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(2S)-2-methylbutoxy]phenyl]-1H-pyrazin-2-one is sourced from PubChem (CID 139653079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).