ethanol;pyrazolidin-3-one

C5H12N2O2 — CID 70596639

IUPACethanol;pyrazolidin-3-one
SMILESCCO.O=C1CCNN1
InChIInChI=1S/C3H6N2O.C2H6O/c6-3-1-2-4-5-3;1-2-3/h4H,1-2H2,(H,5,6);3H,2H2,1H3
InChIKeyAMTOOWALJTYSKT-UHFFFAOYSA-N
MW132.16 g/mol
LogP-0.99
Rot. Bonds

About ethanol;pyrazolidin-3-one

ethanol;pyrazolidin-3-one (PubChem CID 70596639) has the molecular formula C5H12N2O2 and a molecular weight of 132.16 g/mol. Its IUPAC name is ethanol;pyrazolidin-3-one.

Molecular Properties

Compound Nameethanol;pyrazolidin-3-one
PubChem CID70596639
Molecular FormulaC5H12N2O2
Molecular Weight132.16 g/mol
Exact Mass132.09
IUPAC Nameethanol;pyrazolidin-3-one
SMILESCCO.O=C1CCNN1
InChIInChI=1S/C3H6N2O.C2H6O/c6-3-1-2-4-5-3;1-2-3/h4H,1-2H2,(H,5,6);3H,2H2,1H3
InChIKeyAMTOOWALJTYSKT-UHFFFAOYSA-N
XLogP-0.99
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 5-0.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethanol;pyrazolidin-3-one?
The IUPAC name of ethanol;pyrazolidin-3-one (CID 70596639) is ethanol;pyrazolidin-3-one.
What is the SMILES notation for ethanol;pyrazolidin-3-one?
The canonical SMILES for ethanol;pyrazolidin-3-one is CCO.O=C1CCNN1.
What is the InChIKey of ethanol;pyrazolidin-3-one?
The InChIKey is AMTOOWALJTYSKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N2O.C2H6O/c6-3-1-2-4-5-3;1-2-3/h4H,1-2H2,(H,5,6);3H,2H2,1H3.
What are the key properties of ethanol;pyrazolidin-3-one?
ethanol;pyrazolidin-3-one has a molecular weight of 132.16 g/mol, XLogP of -0.99, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;pyrazolidin-3-one is sourced from PubChem (CID 70596639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).