ethane;4-(2-methylcyclohexa-1,5-dien-1-yl)morpholine

C13H23NO — CID 143791147

IUPACethane;4-(2-methylcyclohexa-1,5-dien-1-yl)morpholine
SMILESCC.CC1=C(N2CCOCC2)C=CCC1
InChIInChI=1S/C11H17NO.C2H6/c1-10-4-2-3-5-11(10)12-6-8-13-9-7-12;1-2/h3,5H,2,4,6-9H2,1H3;1-2H3
InChIKeyNDVQZNFLENCBIW-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.97
Rot. Bonds1

About ethane;4-(2-methylcyclohexa-1,5-dien-1-yl)morpholine

ethane;4-(2-methylcyclohexa-1,5-dien-1-yl)morpholine (PubChem CID 143791147) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is ethane;4-(2-methylcyclohexa-1,5-dien-1-yl)morpholine.

Molecular Properties

Compound Nameethane;4-(2-methylcyclohexa-1,5-dien-1-yl)morpholine
PubChem CID143791147
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Nameethane;4-(2-methylcyclohexa-1,5-dien-1-yl)morpholine
SMILESCC.CC1=C(N2CCOCC2)C=CCC1
InChIInChI=1S/C11H17NO.C2H6/c1-10-4-2-3-5-11(10)12-6-8-13-9-7-12;1-2/h3,5H,2,4,6-9H2,1H3;1-2H3
InChIKeyNDVQZNFLENCBIW-UHFFFAOYSA-N
XLogP2.97
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[4-(2-methoxycyclohexa-1,3-dien-1-yl)-1,3-thiazol-2-yl]morpholine
CID 123283981
4-(6-methyl-3,4-dihydropyridin-2-yl)morpholine
CID 142249053
ethane;4-(6-methyl-2-pyridinyl)morpholine
CID 143966353
4-(2H-pyran-5-yl)morpholine
CID 22493491
16-(4-methylphenyl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 71419396
ethane;4-(6-fluoro-4-methyl-2-pyridinyl)morpholine
CID 155700248
4-(4,6-dimethyl-1,3,5-triazin-2-yl)morpholine;ethane
CID 159951324
13-(3,5-dimethylphenyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane
CID 10519968
4-(5-morpholin-4-ylthiophen-2-yl)morpholine
CID 121007846
ethane;4-pyrazin-2-ylmorpholine
CID 143018931
ethane;4-(4-methyl-1,3-oxazol-5-yl)morpholine
CID 145131750
ethane;4-(4-methyl-1,3-thiazol-5-yl)morpholine
CID 142400413

Frequently Asked Questions

What is the IUPAC name of ethane;4-(2-methylcyclohexa-1,5-dien-1-yl)morpholine?
The IUPAC name of ethane;4-(2-methylcyclohexa-1,5-dien-1-yl)morpholine (CID 143791147) is ethane;4-(2-methylcyclohexa-1,5-dien-1-yl)morpholine.
What is the SMILES notation for ethane;4-(2-methylcyclohexa-1,5-dien-1-yl)morpholine?
The canonical SMILES for ethane;4-(2-methylcyclohexa-1,5-dien-1-yl)morpholine is CC.CC1=C(N2CCOCC2)C=CCC1.
What is the InChIKey of ethane;4-(2-methylcyclohexa-1,5-dien-1-yl)morpholine?
The InChIKey is NDVQZNFLENCBIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO.C2H6/c1-10-4-2-3-5-11(10)12-6-8-13-9-7-12;1-2/h3,5H,2,4,6-9H2,1H3;1-2H3.
What are the key properties of ethane;4-(2-methylcyclohexa-1,5-dien-1-yl)morpholine?
ethane;4-(2-methylcyclohexa-1,5-dien-1-yl)morpholine has a molecular weight of 209.33 g/mol, XLogP of 2.97, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-(2-methylcyclohexa-1,5-dien-1-yl)morpholine is sourced from PubChem (CID 143791147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).