ethane;4-(4-methylpiperazin-1-yl)oxolan-2-one

C11H22N2O2 — CID 144963113

IUPACethane;4-(4-methylpiperazin-1-yl)oxolan-2-one
SMILESCC.CN1CCN(C2COC(=O)C2)CC1
InChIInChI=1S/C9H16N2O2.C2H6/c1-10-2-4-11(5-3-10)8-6-9(12)13-7-8;1-2/h8H,2-7H2,1H3;1-2H3
InChIKeyNZWLGMZTDUWHGG-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.58
Rot. Bonds1

About ethane;4-(4-methylpiperazin-1-yl)oxolan-2-one

ethane;4-(4-methylpiperazin-1-yl)oxolan-2-one (PubChem CID 144963113) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is ethane;4-(4-methylpiperazin-1-yl)oxolan-2-one.

Molecular Properties

Compound Nameethane;4-(4-methylpiperazin-1-yl)oxolan-2-one
PubChem CID144963113
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Nameethane;4-(4-methylpiperazin-1-yl)oxolan-2-one
SMILESCC.CN1CCN(C2COC(=O)C2)CC1
InChIInChI=1S/C9H16N2O2.C2H6/c1-10-2-4-11(5-3-10)8-6-9(12)13-7-8;1-2/h8H,2-7H2,1H3;1-2H3
InChIKeyNZWLGMZTDUWHGG-UHFFFAOYSA-N
XLogP0.58
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;4-(4-methylpiperazin-1-yl)oxolan-2-one?
The IUPAC name of ethane;4-(4-methylpiperazin-1-yl)oxolan-2-one (CID 144963113) is ethane;4-(4-methylpiperazin-1-yl)oxolan-2-one.
What is the SMILES notation for ethane;4-(4-methylpiperazin-1-yl)oxolan-2-one?
The canonical SMILES for ethane;4-(4-methylpiperazin-1-yl)oxolan-2-one is CC.CN1CCN(C2COC(=O)C2)CC1.
What is the InChIKey of ethane;4-(4-methylpiperazin-1-yl)oxolan-2-one?
The InChIKey is NZWLGMZTDUWHGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2.C2H6/c1-10-2-4-11(5-3-10)8-6-9(12)13-7-8;1-2/h8H,2-7H2,1H3;1-2H3.
What are the key properties of ethane;4-(4-methylpiperazin-1-yl)oxolan-2-one?
ethane;4-(4-methylpiperazin-1-yl)oxolan-2-one has a molecular weight of 214.31 g/mol, XLogP of 0.58, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-(4-methylpiperazin-1-yl)oxolan-2-one is sourced from PubChem (CID 144963113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).