(2R,3R)-2-cyclohexa-2,4-dien-1-yl-3-(methoxymethyl)morpholine

C12H19NO2 — CID 67575468

IUPAC(2R,3R)-2-cyclohexa-2,4-dien-1-yl-3-(methoxymethyl)morpholine
SMILESCOC[C@H]1NCCO[C@@H]1C1C=CC=CC1
InChIInChI=1S/C12H19NO2/c1-14-9-11-12(15-8-7-13-11)10-5-3-2-4-6-10/h2-5,10-13H,6-9H2,1H3/t10?,11-,12-/m1/s1
InChIKeyYJWCRYLPGVYYJI-PQDIPPBSSA-N
MW209.29 g/mol
LogP1.12
Rot. Bonds3

About (2R,3R)-2-cyclohexa-2,4-dien-1-yl-3-(methoxymethyl)morpholine

(2R,3R)-2-cyclohexa-2,4-dien-1-yl-3-(methoxymethyl)morpholine (PubChem CID 67575468) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is (2R,3R)-2-cyclohexa-2,4-dien-1-yl-3-(methoxymethyl)morpholine.

Molecular Properties

Compound Name(2R,3R)-2-cyclohexa-2,4-dien-1-yl-3-(methoxymethyl)morpholine
PubChem CID67575468
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name(2R,3R)-2-cyclohexa-2,4-dien-1-yl-3-(methoxymethyl)morpholine
SMILESCOC[C@H]1NCCO[C@@H]1C1C=CC=CC1
InChIInChI=1S/C12H19NO2/c1-14-9-11-12(15-8-7-13-11)10-5-3-2-4-6-10/h2-5,10-13H,6-9H2,1H3/t10?,11-,12-/m1/s1
InChIKeyYJWCRYLPGVYYJI-PQDIPPBSSA-N
XLogP1.12
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-cyclohexa-2,4-dien-1-yl-3-(methoxymethyl)morpholine?
The IUPAC name of (2R,3R)-2-cyclohexa-2,4-dien-1-yl-3-(methoxymethyl)morpholine (CID 67575468) is (2R,3R)-2-cyclohexa-2,4-dien-1-yl-3-(methoxymethyl)morpholine.
What is the SMILES notation for (2R,3R)-2-cyclohexa-2,4-dien-1-yl-3-(methoxymethyl)morpholine?
The canonical SMILES for (2R,3R)-2-cyclohexa-2,4-dien-1-yl-3-(methoxymethyl)morpholine is COC[C@H]1NCCO[C@@H]1C1C=CC=CC1.
What is the InChIKey of (2R,3R)-2-cyclohexa-2,4-dien-1-yl-3-(methoxymethyl)morpholine?
The InChIKey is YJWCRYLPGVYYJI-PQDIPPBSSA-N. The full InChI is InChI=1S/C12H19NO2/c1-14-9-11-12(15-8-7-13-11)10-5-3-2-4-6-10/h2-5,10-13H,6-9H2,1H3/t10?,11-,12-/m1/s1.
What are the key properties of (2R,3R)-2-cyclohexa-2,4-dien-1-yl-3-(methoxymethyl)morpholine?
(2R,3R)-2-cyclohexa-2,4-dien-1-yl-3-(methoxymethyl)morpholine has a molecular weight of 209.29 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-cyclohexa-2,4-dien-1-yl-3-(methoxymethyl)morpholine is sourced from PubChem (CID 67575468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).