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

C11H17NO — CID 89109782

IUPAC(3R)-2-cyclohexa-2,4-dien-1-yl-3-methylmorpholine
SMILESC[C@H]1NCCOC1C1C=CC=CC1
InChIInChI=1S/C11H17NO/c1-9-11(13-8-7-12-9)10-5-3-2-4-6-10/h2-5,9-12H,6-8H2,1H3/t9-,10?,11?/m1/s1
InChIKeyKURVMSUMVWOUJU-KPPDAEKUSA-N
MW179.26 g/mol
LogP1.50
Rot. Bonds1

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

(3R)-2-cyclohexa-2,4-dien-1-yl-3-methylmorpholine (PubChem CID 89109782) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is (3R)-2-cyclohexa-2,4-dien-1-yl-3-methylmorpholine.

Molecular Properties

Compound Name(3R)-2-cyclohexa-2,4-dien-1-yl-3-methylmorpholine
PubChem CID89109782
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name(3R)-2-cyclohexa-2,4-dien-1-yl-3-methylmorpholine
SMILESC[C@H]1NCCOC1C1C=CC=CC1
InChIInChI=1S/C11H17NO/c1-9-11(13-8-7-12-9)10-5-3-2-4-6-10/h2-5,9-12H,6-8H2,1H3/t9-,10?,11?/m1/s1
InChIKeyKURVMSUMVWOUJU-KPPDAEKUSA-N
XLogP1.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,6S)-2-methyl-6-[3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]morpholine
CID 68213106
(2S,6S)-2-(3-fluorocyclohexa-2,4-dien-1-yl)-6-methylmorpholine
CID 68213107
(2S,5S)-2-(3-fluorocyclohexa-2,4-dien-1-yl)-5-methylmorpholine
CID 68213115
(2S,5S)-2-(4-fluorocyclohexa-2,4-dien-1-yl)-5-methylmorpholine
CID 68213123
(2S,6R)-2-(3-fluorocyclohexa-2,4-dien-1-yl)-6-methylmorpholine
CID 68213127
(2R,6S)-2-methyl-6-[3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]morpholine
CID 68213129
(2S,5R)-5-methyl-2-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]morpholine
CID 68213138
(5S)-5-methyl-2-[(1S)-4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]morpholine
CID 68213148
(5S)-2-[(1S)-4-fluorocyclohexa-2,4-dien-1-yl]-5-methylmorpholine
CID 68213149
(2S,5R)-2-(4-fluorocyclohexa-2,4-dien-1-yl)-5-methylmorpholine
CID 68213150
(2S,5S)-5-methyl-2-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]morpholine
CID 68213162
(2S,5R)-5-methyl-2-[3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]morpholine
CID 68213206

Frequently Asked Questions

What is the IUPAC name of (3R)-2-cyclohexa-2,4-dien-1-yl-3-methylmorpholine?
The IUPAC name of (3R)-2-cyclohexa-2,4-dien-1-yl-3-methylmorpholine (CID 89109782) is (3R)-2-cyclohexa-2,4-dien-1-yl-3-methylmorpholine.
What is the SMILES notation for (3R)-2-cyclohexa-2,4-dien-1-yl-3-methylmorpholine?
The canonical SMILES for (3R)-2-cyclohexa-2,4-dien-1-yl-3-methylmorpholine is C[C@H]1NCCOC1C1C=CC=CC1.
What is the InChIKey of (3R)-2-cyclohexa-2,4-dien-1-yl-3-methylmorpholine?
The InChIKey is KURVMSUMVWOUJU-KPPDAEKUSA-N. The full InChI is InChI=1S/C11H17NO/c1-9-11(13-8-7-12-9)10-5-3-2-4-6-10/h2-5,9-12H,6-8H2,1H3/t9-,10?,11?/m1/s1.
What are the key properties of (3R)-2-cyclohexa-2,4-dien-1-yl-3-methylmorpholine?
(3R)-2-cyclohexa-2,4-dien-1-yl-3-methylmorpholine has a molecular weight of 179.26 g/mol, XLogP of 1.50, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2-cyclohexa-2,4-dien-1-yl-3-methylmorpholine is sourced from PubChem (CID 89109782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).