2-[(3-methylcyclohexa-2,4-dien-1-yl)methyl]morpholine

C12H19NO — CID 141300454

IUPAC2-[(3-methylcyclohexa-2,4-dien-1-yl)methyl]morpholine
SMILESCC1=CC(CC2CNCCO2)CC=C1
InChIInChI=1S/C12H19NO/c1-10-3-2-4-11(7-10)8-12-9-13-5-6-14-12/h2-3,7,11-13H,4-6,8-9H2,1H3
InChIKeyVQDHLMMTQCRIFE-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.89
Rot. Bonds2

About 2-[(3-methylcyclohexa-2,4-dien-1-yl)methyl]morpholine

2-[(3-methylcyclohexa-2,4-dien-1-yl)methyl]morpholine (PubChem CID 141300454) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 2-[(3-methylcyclohexa-2,4-dien-1-yl)methyl]morpholine.

Molecular Properties

Compound Name2-[(3-methylcyclohexa-2,4-dien-1-yl)methyl]morpholine
PubChem CID141300454
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name2-[(3-methylcyclohexa-2,4-dien-1-yl)methyl]morpholine
SMILESCC1=CC(CC2CNCCO2)CC=C1
InChIInChI=1S/C12H19NO/c1-10-3-2-4-11(7-10)8-12-9-13-5-6-14-12/h2-3,7,11-13H,4-6,8-9H2,1H3
InChIKeyVQDHLMMTQCRIFE-UHFFFAOYSA-N
XLogP1.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.89
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 2-[(3-methylcyclohexa-2,4-dien-1-yl)methyl]morpholine?
The IUPAC name of 2-[(3-methylcyclohexa-2,4-dien-1-yl)methyl]morpholine (CID 141300454) is 2-[(3-methylcyclohexa-2,4-dien-1-yl)methyl]morpholine.
What is the SMILES notation for 2-[(3-methylcyclohexa-2,4-dien-1-yl)methyl]morpholine?
The canonical SMILES for 2-[(3-methylcyclohexa-2,4-dien-1-yl)methyl]morpholine is CC1=CC(CC2CNCCO2)CC=C1.
What is the InChIKey of 2-[(3-methylcyclohexa-2,4-dien-1-yl)methyl]morpholine?
The InChIKey is VQDHLMMTQCRIFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-10-3-2-4-11(7-10)8-12-9-13-5-6-14-12/h2-3,7,11-13H,4-6,8-9H2,1H3.
What are the key properties of 2-[(3-methylcyclohexa-2,4-dien-1-yl)methyl]morpholine?
2-[(3-methylcyclohexa-2,4-dien-1-yl)methyl]morpholine has a molecular weight of 193.29 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylcyclohexa-2,4-dien-1-yl)methyl]morpholine is sourced from PubChem (CID 141300454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).