3-methyl-1-(oxolan-2-yl)piperazin-2-one

C9H16N2O2 — CID 115101916

IUPAC3-methyl-1-(oxolan-2-yl)piperazin-2-one
SMILESCC1NCCN(C2CCCO2)C1=O
InChIInChI=1S/C9H16N2O2/c1-7-9(12)11(5-4-10-7)8-3-2-6-13-8/h7-8,10H,2-6H2,1H3
InChIKeyYPZRPGDZBCSLOL-UHFFFAOYSA-N
MW184.24 g/mol
LogP-0.06
Rot. Bonds1

About 3-methyl-1-(oxolan-2-yl)piperazin-2-one

3-methyl-1-(oxolan-2-yl)piperazin-2-one (PubChem CID 115101916) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 3-methyl-1-(oxolan-2-yl)piperazin-2-one.

Molecular Properties

Compound Name3-methyl-1-(oxolan-2-yl)piperazin-2-one
PubChem CID115101916
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name3-methyl-1-(oxolan-2-yl)piperazin-2-one
SMILESCC1NCCN(C2CCCO2)C1=O
InChIInChI=1S/C9H16N2O2/c1-7-9(12)11(5-4-10-7)8-3-2-6-13-8/h7-8,10H,2-6H2,1H3
InChIKeyYPZRPGDZBCSLOL-UHFFFAOYSA-N
XLogP-0.06
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclobutyl-3-methylpiperazin-2-one
CID 115101959
4-(oxolan-2-yl)-1,4-diazepan-5-one
CID 115100440
3-methyl-1-(thiolan-2-yl)piperazin-2-one
CID 115101918
3-methyl-1-(thian-4-yl)piperazin-2-one
CID 115101891
1-(1,1-dioxothiolan-2-yl)-3-methylpiperazin-2-one
CID 115101917
1-(1,1-dioxothian-2-yl)-3-methylpiperazin-2-one
CID 115101924
1-(1,1-dioxothian-3-yl)-3-methylpiperazin-2-one
CID 115101910
1,3-dimethylpiperazin-2-one;ethane
CID 163399035
5-methyl-3-[1-(oxolan-2-yl)ethyl]imidazolidin-4-one
CID 83244374
3-methyl-1-(thiolan-3-yl)-1,4-diazepan-2-one
CID 115101990
5-methyl-3-(oxan-4-yl)imidazolidin-4-one
CID 83244206
1,3-dimethyl-1,4-diazepan-2-one;ethane
CID 143004866

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(oxolan-2-yl)piperazin-2-one?
The IUPAC name of 3-methyl-1-(oxolan-2-yl)piperazin-2-one (CID 115101916) is 3-methyl-1-(oxolan-2-yl)piperazin-2-one.
What is the SMILES notation for 3-methyl-1-(oxolan-2-yl)piperazin-2-one?
The canonical SMILES for 3-methyl-1-(oxolan-2-yl)piperazin-2-one is CC1NCCN(C2CCCO2)C1=O.
What is the InChIKey of 3-methyl-1-(oxolan-2-yl)piperazin-2-one?
The InChIKey is YPZRPGDZBCSLOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-7-9(12)11(5-4-10-7)8-3-2-6-13-8/h7-8,10H,2-6H2,1H3.
What are the key properties of 3-methyl-1-(oxolan-2-yl)piperazin-2-one?
3-methyl-1-(oxolan-2-yl)piperazin-2-one has a molecular weight of 184.24 g/mol, XLogP of -0.06, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(oxolan-2-yl)piperazin-2-one is sourced from PubChem (CID 115101916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).