3-chloro-1-[(5-methyloxolan-2-yl)methyl]pyrazin-2-one

C10H13ClN2O2 — CID 103136893

IUPAC3-chloro-1-[(5-methyloxolan-2-yl)methyl]pyrazin-2-one
SMILESCC1CCC(Cn2ccnc(Cl)c2=O)O1
InChIInChI=1S/C10H13ClN2O2/c1-7-2-3-8(15-7)6-13-5-4-12-9(11)10(13)14/h4-5,7-8H,2-3,6H2,1H3
InChIKeyKRJFIAYRQHVZKB-UHFFFAOYSA-N
MW228.68 g/mol
LogP1.46
Rot. Bonds2

About 3-chloro-1-[(5-methyloxolan-2-yl)methyl]pyrazin-2-one

3-chloro-1-[(5-methyloxolan-2-yl)methyl]pyrazin-2-one (PubChem CID 103136893) has the molecular formula C10H13ClN2O2 and a molecular weight of 228.68 g/mol. Its IUPAC name is 3-chloro-1-[(5-methyloxolan-2-yl)methyl]pyrazin-2-one.

Molecular Properties

Compound Name3-chloro-1-[(5-methyloxolan-2-yl)methyl]pyrazin-2-one
PubChem CID103136893
Molecular FormulaC10H13ClN2O2
Molecular Weight228.68 g/mol
Exact Mass228.07
IUPAC Name3-chloro-1-[(5-methyloxolan-2-yl)methyl]pyrazin-2-one
SMILESCC1CCC(Cn2ccnc(Cl)c2=O)O1
InChIInChI=1S/C10H13ClN2O2/c1-7-2-3-8(15-7)6-13-5-4-12-9(11)10(13)14/h4-5,7-8H,2-3,6H2,1H3
InChIKeyKRJFIAYRQHVZKB-UHFFFAOYSA-N
XLogP1.46
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5,6-dichloro-3-[(5-methyloxolan-2-yl)methyl]pyrimidin-4-one
CID 103136903
1-[(5-methyloxolan-2-yl)methyl]pyrazin-2-one
CID 130538368
2-(3-chloro-2-oxopyrazin-1-yl)-N-(oxan-4-yl)acetamide
CID 114561538
2-chloro-4-methyl-N-[(5-methyloxolan-2-yl)methyl]pyridin-3-amine
CID 82836185
1-[[(2S,5S)-5-methyloxolan-2-yl]methyl]pyrazole
CID 145143851
6-chloro-1-[(5-methyloxolan-2-yl)methyl]indole-3-carbaldehyde
CID 103136229
5-methyl-3-[(5-methyloxolan-2-yl)methyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid
CID 103135274
(3R,4S)-1-[(5-methyloxolan-2-yl)methyl]pyrrolidine-3,4-diol
CID 103137660
1-[(5-methyloxolan-2-yl)methyl]imidazole
CID 103140191
3-chloro-1-(3-pyrrolidin-1-ylpropyl)pyrazin-2-one
CID 114561830
N-[[2-methyl-1-[(5-methyloxolan-2-yl)methyl]pyrrol-3-yl]methyl]propan-1-amine
CID 114196061
3-chloro-1-(2,3-dihydroxypropyl)pyrazin-2-one
CID 114561672

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-[(5-methyloxolan-2-yl)methyl]pyrazin-2-one?
The IUPAC name of 3-chloro-1-[(5-methyloxolan-2-yl)methyl]pyrazin-2-one (CID 103136893) is 3-chloro-1-[(5-methyloxolan-2-yl)methyl]pyrazin-2-one.
What is the SMILES notation for 3-chloro-1-[(5-methyloxolan-2-yl)methyl]pyrazin-2-one?
The canonical SMILES for 3-chloro-1-[(5-methyloxolan-2-yl)methyl]pyrazin-2-one is CC1CCC(Cn2ccnc(Cl)c2=O)O1.
What is the InChIKey of 3-chloro-1-[(5-methyloxolan-2-yl)methyl]pyrazin-2-one?
The InChIKey is KRJFIAYRQHVZKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O2/c1-7-2-3-8(15-7)6-13-5-4-12-9(11)10(13)14/h4-5,7-8H,2-3,6H2,1H3.
What are the key properties of 3-chloro-1-[(5-methyloxolan-2-yl)methyl]pyrazin-2-one?
3-chloro-1-[(5-methyloxolan-2-yl)methyl]pyrazin-2-one has a molecular weight of 228.68 g/mol, XLogP of 1.46, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-[(5-methyloxolan-2-yl)methyl]pyrazin-2-one is sourced from PubChem (CID 103136893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).