(2S,3R,6R)-2,6-dimethyl-3-(5-methylfuran-2-yl)morpholine

C11H17NO2 — CID 95240755

IUPAC(2S,3R,6R)-2,6-dimethyl-3-(5-methylfuran-2-yl)morpholine
SMILESCc1ccc([C@@H]2NC[C@@H](C)O[C@H]2C)o1
InChIInChI=1S/C11H17NO2/c1-7-4-5-10(14-7)11-9(3)13-8(2)6-12-11/h4-5,8-9,11-12H,6H2,1-3H3/t8-,9+,11-/m1/s1
InChIKeyHXYAVPAYEXEPCU-WCABBAIRSA-N
MW195.26 g/mol
LogP2.03
Rot. Bonds1

About (2S,3R,6R)-2,6-dimethyl-3-(5-methylfuran-2-yl)morpholine

(2S,3R,6R)-2,6-dimethyl-3-(5-methylfuran-2-yl)morpholine (PubChem CID 95240755) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is (2S,3R,6R)-2,6-dimethyl-3-(5-methylfuran-2-yl)morpholine.

Molecular Properties

Compound Name(2S,3R,6R)-2,6-dimethyl-3-(5-methylfuran-2-yl)morpholine
PubChem CID95240755
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name(2S,3R,6R)-2,6-dimethyl-3-(5-methylfuran-2-yl)morpholine
SMILESCc1ccc([C@@H]2NC[C@@H](C)O[C@H]2C)o1
InChIInChI=1S/C11H17NO2/c1-7-4-5-10(14-7)11-9(3)13-8(2)6-12-11/h4-5,8-9,11-12H,6H2,1-3H3/t8-,9+,11-/m1/s1
InChIKeyHXYAVPAYEXEPCU-WCABBAIRSA-N
XLogP2.03
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,3R,6R)-2,6-dimethyl-3-(5-methylfuran-2-yl)morpholine?
The IUPAC name of (2S,3R,6R)-2,6-dimethyl-3-(5-methylfuran-2-yl)morpholine (CID 95240755) is (2S,3R,6R)-2,6-dimethyl-3-(5-methylfuran-2-yl)morpholine.
What is the SMILES notation for (2S,3R,6R)-2,6-dimethyl-3-(5-methylfuran-2-yl)morpholine?
The canonical SMILES for (2S,3R,6R)-2,6-dimethyl-3-(5-methylfuran-2-yl)morpholine is Cc1ccc([C@@H]2NC[C@@H](C)O[C@H]2C)o1.
What is the InChIKey of (2S,3R,6R)-2,6-dimethyl-3-(5-methylfuran-2-yl)morpholine?
The InChIKey is HXYAVPAYEXEPCU-WCABBAIRSA-N. The full InChI is InChI=1S/C11H17NO2/c1-7-4-5-10(14-7)11-9(3)13-8(2)6-12-11/h4-5,8-9,11-12H,6H2,1-3H3/t8-,9+,11-/m1/s1.
What are the key properties of (2S,3R,6R)-2,6-dimethyl-3-(5-methylfuran-2-yl)morpholine?
(2S,3R,6R)-2,6-dimethyl-3-(5-methylfuran-2-yl)morpholine has a molecular weight of 195.26 g/mol, XLogP of 2.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,6R)-2,6-dimethyl-3-(5-methylfuran-2-yl)morpholine is sourced from PubChem (CID 95240755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).