(3R)-3-(6-chloro-1,3-benzodioxol-5-yl)morpholine

C11H12ClNO3 — CID 171192921

IUPAC(3R)-3-(6-chloro-1,3-benzodioxol-5-yl)morpholine
SMILESClc1cc2c(cc1[C@@H]1COCCN1)OCO2
InChIInChI=1S/C11H12ClNO3/c12-8-4-11-10(15-6-16-11)3-7(8)9-5-14-2-1-13-9/h3-4,9,13H,1-2,5-6H2/t9-/m0/s1
InChIKeyBVWRUMSKAGYLGS-VIFPVBQESA-N
MW241.67 g/mol
LogP1.73
Rot. Bonds1

About (3R)-3-(6-chloro-1,3-benzodioxol-5-yl)morpholine

(3R)-3-(6-chloro-1,3-benzodioxol-5-yl)morpholine (PubChem CID 171192921) has the molecular formula C11H12ClNO3 and a molecular weight of 241.67 g/mol. Its IUPAC name is (3R)-3-(6-chloro-1,3-benzodioxol-5-yl)morpholine.

Molecular Properties

Compound Name(3R)-3-(6-chloro-1,3-benzodioxol-5-yl)morpholine
PubChem CID171192921
Molecular FormulaC11H12ClNO3
Molecular Weight241.67 g/mol
Exact Mass241.05
IUPAC Name(3R)-3-(6-chloro-1,3-benzodioxol-5-yl)morpholine
SMILESClc1cc2c(cc1[C@@H]1COCCN1)OCO2
InChIInChI=1S/C11H12ClNO3/c12-8-4-11-10(15-6-16-11)3-7(8)9-5-14-2-1-13-9/h3-4,9,13H,1-2,5-6H2/t9-/m0/s1
InChIKeyBVWRUMSKAGYLGS-VIFPVBQESA-N
XLogP1.73
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.67
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(6-chloro-1,3-benzodioxol-5-yl)morpholine?
The IUPAC name of (3R)-3-(6-chloro-1,3-benzodioxol-5-yl)morpholine (CID 171192921) is (3R)-3-(6-chloro-1,3-benzodioxol-5-yl)morpholine.
What is the SMILES notation for (3R)-3-(6-chloro-1,3-benzodioxol-5-yl)morpholine?
The canonical SMILES for (3R)-3-(6-chloro-1,3-benzodioxol-5-yl)morpholine is Clc1cc2c(cc1[C@@H]1COCCN1)OCO2.
What is the InChIKey of (3R)-3-(6-chloro-1,3-benzodioxol-5-yl)morpholine?
The InChIKey is BVWRUMSKAGYLGS-VIFPVBQESA-N. The full InChI is InChI=1S/C11H12ClNO3/c12-8-4-11-10(15-6-16-11)3-7(8)9-5-14-2-1-13-9/h3-4,9,13H,1-2,5-6H2/t9-/m0/s1.
What are the key properties of (3R)-3-(6-chloro-1,3-benzodioxol-5-yl)morpholine?
(3R)-3-(6-chloro-1,3-benzodioxol-5-yl)morpholine has a molecular weight of 241.67 g/mol, XLogP of 1.73, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(6-chloro-1,3-benzodioxol-5-yl)morpholine is sourced from PubChem (CID 171192921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).