(2R)-2-cyclohexa-1,5-dien-1-ylmorpholine;ethane

C12H21NO — CID 143800436

IUPAC(2R)-2-cyclohexa-1,5-dien-1-ylmorpholine;ethane
SMILESC1=CC([C@@H]2CNCCO2)=CCC1.CC
InChIInChI=1S/C10H15NO.C2H6/c1-2-4-9(5-3-1)10-8-11-6-7-12-10;1-2/h2,4-5,10-11H,1,3,6-8H2;1-2H3/t10-;/m0./s1
InChIKeyUQJHQIZHOCCHCS-PPHPATTJSA-N
MW195.31 g/mol
LogP2.28
Rot. Bonds1

About (2R)-2-cyclohexa-1,5-dien-1-ylmorpholine;ethane

(2R)-2-cyclohexa-1,5-dien-1-ylmorpholine;ethane (PubChem CID 143800436) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is (2R)-2-cyclohexa-1,5-dien-1-ylmorpholine;ethane.

Molecular Properties

Compound Name(2R)-2-cyclohexa-1,5-dien-1-ylmorpholine;ethane
PubChem CID143800436
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name(2R)-2-cyclohexa-1,5-dien-1-ylmorpholine;ethane
SMILESC1=CC([C@@H]2CNCCO2)=CCC1.CC
InChIInChI=1S/C10H15NO.C2H6/c1-2-4-9(5-3-1)10-8-11-6-7-12-10;1-2/h2,4-5,10-11H,1,3,6-8H2;1-2H3/t10-;/m0./s1
InChIKeyUQJHQIZHOCCHCS-PPHPATTJSA-N
XLogP2.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2R)-2-cyclohexa-1,5-dien-1-ylmorpholine;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-[(E)-2-fluoro-3-methylpent-1-enyl]-5-methyl-3,6-dihydro-2H-pyran-6-yl]-N-methylmethanamine
CID 129015871
(4E)-2-ethoxy-4-fluoro-N-methyl-3-propan-2-ylidenehepta-4,6-dien-1-amine
CID 142279471
1-[5-ethenyl-4-(1-fluoroethenyl)-3,6-dihydro-2H-pyran-6-yl]-N-methylmethanamine
CID 142279546
N-[[5-ethenyl-4-(1-fluoroethenyl)-3,6-dihydro-2H-pyran-6-yl]methyl]propan-1-amine
CID 145138560
2-(4-Fluorocyclohexa-1,5-dien-1-yl)morpholine
CID 147833140
2,2-difluoro-6-[(3Z)-penta-1,3-dien-2-yl]morpholine
CID 177151938
6-Cyclohexa-1,5-dien-1-yl-2,2-difluoromorpholine
CID 178115857
2-(1-Methyl-1,2,5,6-tetrahydropyridin-3-yl)morpholine
CID 16736003
1-[(3S,6S)-4,5-bis(ethenyl)-3-fluoro-3,6-dihydro-2H-pyran-6-yl]-N-methylmethanamine
CID 142279477
2-[(1E)-buta-1,3-dienyl]morpholine
CID 18958909
3,4,4a,8a-tetrahydro-2H-1,4-benzoxazine
CID 22475307
2-(2-Methylprop-1-enyl)morpholine
CID 67801913

Frequently Asked Questions

What is the IUPAC name of (2R)-2-cyclohexa-1,5-dien-1-ylmorpholine;ethane?
The IUPAC name of (2R)-2-cyclohexa-1,5-dien-1-ylmorpholine;ethane (CID 143800436) is (2R)-2-cyclohexa-1,5-dien-1-ylmorpholine;ethane.
What is the SMILES notation for (2R)-2-cyclohexa-1,5-dien-1-ylmorpholine;ethane?
The canonical SMILES for (2R)-2-cyclohexa-1,5-dien-1-ylmorpholine;ethane is C1=CC([C@@H]2CNCCO2)=CCC1.CC.
What is the InChIKey of (2R)-2-cyclohexa-1,5-dien-1-ylmorpholine;ethane?
The InChIKey is UQJHQIZHOCCHCS-PPHPATTJSA-N. The full InChI is InChI=1S/C10H15NO.C2H6/c1-2-4-9(5-3-1)10-8-11-6-7-12-10;1-2/h2,4-5,10-11H,1,3,6-8H2;1-2H3/t10-;/m0./s1.
What are the key properties of (2R)-2-cyclohexa-1,5-dien-1-ylmorpholine;ethane?
(2R)-2-cyclohexa-1,5-dien-1-ylmorpholine;ethane has a molecular weight of 195.31 g/mol, XLogP of 2.28, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-cyclohexa-1,5-dien-1-ylmorpholine;ethane is sourced from PubChem (CID 143800436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).