3-[(5-methylfuran-2-yl)methylamino]oxolan-2-one

C10H13NO3 — CID 43823904

IUPAC3-[(5-methylfuran-2-yl)methylamino]oxolan-2-one
SMILESCc1ccc(CNC2CCOC2=O)o1
InChIInChI=1S/C10H13NO3/c1-7-2-3-8(14-7)6-11-9-4-5-13-10(9)12/h2-3,9,11H,4-6H2,1H3
InChIKeyJSBKETXQZWMTMO-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.99
Rot. Bonds3

About 3-[(5-methylfuran-2-yl)methylamino]oxolan-2-one

3-[(5-methylfuran-2-yl)methylamino]oxolan-2-one (PubChem CID 43823904) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 3-[(5-methylfuran-2-yl)methylamino]oxolan-2-one.

Molecular Properties

Compound Name3-[(5-methylfuran-2-yl)methylamino]oxolan-2-one
PubChem CID43823904
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name3-[(5-methylfuran-2-yl)methylamino]oxolan-2-one
SMILESCc1ccc(CNC2CCOC2=O)o1
InChIInChI=1S/C10H13NO3/c1-7-2-3-8(14-7)6-11-9-4-5-13-10(9)12/h2-3,9,11H,4-6H2,1H3
InChIKeyJSBKETXQZWMTMO-UHFFFAOYSA-N
XLogP0.99
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-methylfuran-2-yl)methylamino]oxolan-2-one?
The IUPAC name of 3-[(5-methylfuran-2-yl)methylamino]oxolan-2-one (CID 43823904) is 3-[(5-methylfuran-2-yl)methylamino]oxolan-2-one.
What is the SMILES notation for 3-[(5-methylfuran-2-yl)methylamino]oxolan-2-one?
The canonical SMILES for 3-[(5-methylfuran-2-yl)methylamino]oxolan-2-one is Cc1ccc(CNC2CCOC2=O)o1.
What is the InChIKey of 3-[(5-methylfuran-2-yl)methylamino]oxolan-2-one?
The InChIKey is JSBKETXQZWMTMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-7-2-3-8(14-7)6-11-9-4-5-13-10(9)12/h2-3,9,11H,4-6H2,1H3.
What are the key properties of 3-[(5-methylfuran-2-yl)methylamino]oxolan-2-one?
3-[(5-methylfuran-2-yl)methylamino]oxolan-2-one has a molecular weight of 195.22 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methylfuran-2-yl)methylamino]oxolan-2-one is sourced from PubChem (CID 43823904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).