4-[1-(3-methylfuran-2-yl)ethylamino]oxolan-3-ol

C11H17NO3 — CID 115923427

IUPAC4-[1-(3-methylfuran-2-yl)ethylamino]oxolan-3-ol
SMILESCc1ccoc1C(C)NC1COCC1O
InChIInChI=1S/C11H17NO3/c1-7-3-4-15-11(7)8(2)12-9-5-14-6-10(9)13/h3-4,8-10,12-13H,5-6H2,1-2H3
InChIKeyXHIHRKOXZRRZBT-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.00
Rot. Bonds3

About 4-[1-(3-methylfuran-2-yl)ethylamino]oxolan-3-ol

4-[1-(3-methylfuran-2-yl)ethylamino]oxolan-3-ol (PubChem CID 115923427) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 4-[1-(3-methylfuran-2-yl)ethylamino]oxolan-3-ol.

Molecular Properties

Compound Name4-[1-(3-methylfuran-2-yl)ethylamino]oxolan-3-ol
PubChem CID115923427
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name4-[1-(3-methylfuran-2-yl)ethylamino]oxolan-3-ol
SMILESCc1ccoc1C(C)NC1COCC1O
InChIInChI=1S/C11H17NO3/c1-7-3-4-15-11(7)8(2)12-9-5-14-6-10(9)13/h3-4,8-10,12-13H,5-6H2,1-2H3
InChIKeyXHIHRKOXZRRZBT-UHFFFAOYSA-N
XLogP1.00
TPSA54.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(3-methylfuran-2-yl)ethylamino]oxolan-3-ol?
The IUPAC name of 4-[1-(3-methylfuran-2-yl)ethylamino]oxolan-3-ol (CID 115923427) is 4-[1-(3-methylfuran-2-yl)ethylamino]oxolan-3-ol.
What is the SMILES notation for 4-[1-(3-methylfuran-2-yl)ethylamino]oxolan-3-ol?
The canonical SMILES for 4-[1-(3-methylfuran-2-yl)ethylamino]oxolan-3-ol is Cc1ccoc1C(C)NC1COCC1O.
What is the InChIKey of 4-[1-(3-methylfuran-2-yl)ethylamino]oxolan-3-ol?
The InChIKey is XHIHRKOXZRRZBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-7-3-4-15-11(7)8(2)12-9-5-14-6-10(9)13/h3-4,8-10,12-13H,5-6H2,1-2H3.
What are the key properties of 4-[1-(3-methylfuran-2-yl)ethylamino]oxolan-3-ol?
4-[1-(3-methylfuran-2-yl)ethylamino]oxolan-3-ol has a molecular weight of 211.26 g/mol, XLogP of 1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3-methylfuran-2-yl)ethylamino]oxolan-3-ol is sourced from PubChem (CID 115923427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).