2-cyclohexa-1,5-dien-1-ylmorpholine;propane

C13H23NO — CID 143800418

IUPAC2-cyclohexa-1,5-dien-1-ylmorpholine;propane
SMILESC1=CC(C2CNCCO2)=CCC1.CCC
InChIInChI=1S/C10H15NO.C3H8/c1-2-4-9(5-3-1)10-8-11-6-7-12-10;1-3-2/h2,4-5,10-11H,1,3,6-8H2;3H2,1-2H3
InChIKeyRGCRTEQCBDCCDE-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.67
Rot. Bonds1

About 2-cyclohexa-1,5-dien-1-ylmorpholine;propane

2-cyclohexa-1,5-dien-1-ylmorpholine;propane (PubChem CID 143800418) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 2-cyclohexa-1,5-dien-1-ylmorpholine;propane.

Molecular Properties

Compound Name2-cyclohexa-1,5-dien-1-ylmorpholine;propane
PubChem CID143800418
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name2-cyclohexa-1,5-dien-1-ylmorpholine;propane
SMILESC1=CC(C2CNCCO2)=CCC1.CCC
InChIInChI=1S/C10H15NO.C3H8/c1-2-4-9(5-3-1)10-8-11-6-7-12-10;1-3-2/h2,4-5,10-11H,1,3,6-8H2;3H2,1-2H3
InChIKeyRGCRTEQCBDCCDE-UHFFFAOYSA-N
XLogP2.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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 2-cyclohexa-1,5-dien-1-ylmorpholine;propane?
The IUPAC name of 2-cyclohexa-1,5-dien-1-ylmorpholine;propane (CID 143800418) is 2-cyclohexa-1,5-dien-1-ylmorpholine;propane.
What is the SMILES notation for 2-cyclohexa-1,5-dien-1-ylmorpholine;propane?
The canonical SMILES for 2-cyclohexa-1,5-dien-1-ylmorpholine;propane is C1=CC(C2CNCCO2)=CCC1.CCC.
What is the InChIKey of 2-cyclohexa-1,5-dien-1-ylmorpholine;propane?
The InChIKey is RGCRTEQCBDCCDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO.C3H8/c1-2-4-9(5-3-1)10-8-11-6-7-12-10;1-3-2/h2,4-5,10-11H,1,3,6-8H2;3H2,1-2H3.
What are the key properties of 2-cyclohexa-1,5-dien-1-ylmorpholine;propane?
2-cyclohexa-1,5-dien-1-ylmorpholine;propane has a molecular weight of 209.33 g/mol, XLogP of 2.67, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexa-1,5-dien-1-ylmorpholine;propane is sourced from PubChem (CID 143800418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).