ethane;3-[(4-methylpyrazol-1-yl)methyl]oxolan-2-one

C11H18N2O2 — CID 144858158

IUPACethane;3-[(4-methylpyrazol-1-yl)methyl]oxolan-2-one
SMILESCC.Cc1cnn(CC2CCOC2=O)c1
InChIInChI=1S/C9H12N2O2.C2H6/c1-7-4-10-11(5-7)6-8-2-3-13-9(8)12;1-2/h4-5,8H,2-3,6H2,1H3;1-2H3
InChIKeyUAMFXDJTJUTXHJ-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.78
Rot. Bonds2

About ethane;3-[(4-methylpyrazol-1-yl)methyl]oxolan-2-one

ethane;3-[(4-methylpyrazol-1-yl)methyl]oxolan-2-one (PubChem CID 144858158) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is ethane;3-[(4-methylpyrazol-1-yl)methyl]oxolan-2-one.

Molecular Properties

Compound Nameethane;3-[(4-methylpyrazol-1-yl)methyl]oxolan-2-one
PubChem CID144858158
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Nameethane;3-[(4-methylpyrazol-1-yl)methyl]oxolan-2-one
SMILESCC.Cc1cnn(CC2CCOC2=O)c1
InChIInChI=1S/C9H12N2O2.C2H6/c1-7-4-10-11(5-7)6-8-2-3-13-9(8)12;1-2/h4-5,8H,2-3,6H2,1H3;1-2H3
InChIKeyUAMFXDJTJUTXHJ-UHFFFAOYSA-N
XLogP1.78
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;3-[(4-methylpyrazol-1-yl)methyl]oxolan-2-one?
The IUPAC name of ethane;3-[(4-methylpyrazol-1-yl)methyl]oxolan-2-one (CID 144858158) is ethane;3-[(4-methylpyrazol-1-yl)methyl]oxolan-2-one.
What is the SMILES notation for ethane;3-[(4-methylpyrazol-1-yl)methyl]oxolan-2-one?
The canonical SMILES for ethane;3-[(4-methylpyrazol-1-yl)methyl]oxolan-2-one is CC.Cc1cnn(CC2CCOC2=O)c1.
What is the InChIKey of ethane;3-[(4-methylpyrazol-1-yl)methyl]oxolan-2-one?
The InChIKey is UAMFXDJTJUTXHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2.C2H6/c1-7-4-10-11(5-7)6-8-2-3-13-9(8)12;1-2/h4-5,8H,2-3,6H2,1H3;1-2H3.
What are the key properties of ethane;3-[(4-methylpyrazol-1-yl)methyl]oxolan-2-one?
ethane;3-[(4-methylpyrazol-1-yl)methyl]oxolan-2-one has a molecular weight of 210.28 g/mol, XLogP of 1.78, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-[(4-methylpyrazol-1-yl)methyl]oxolan-2-one is sourced from PubChem (CID 144858158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).