ethane;(2E)-3-methylidene-2-(2-methylprop-2-enylidene)morpholine

C11H19NO — CID 164573476

IUPACethane;(2E)-3-methylidene-2-(2-methylprop-2-enylidene)morpholine
SMILESC=C(C)/C=C1/OCCNC1=C.CC
InChIInChI=1S/C9H13NO.C2H6/c1-7(2)6-9-8(3)10-4-5-11-9;1-2/h6,10H,1,3-5H2,2H3;1-2H3/b9-6+;
InChIKeyIIVPXXYOMCBSPC-MLBSPLJJSA-N
MW181.28 g/mol
LogP2.61
Rot. Bonds1

About ethane;(2E)-3-methylidene-2-(2-methylprop-2-enylidene)morpholine

ethane;(2E)-3-methylidene-2-(2-methylprop-2-enylidene)morpholine (PubChem CID 164573476) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is ethane;(2E)-3-methylidene-2-(2-methylprop-2-enylidene)morpholine.

Molecular Properties

Compound Nameethane;(2E)-3-methylidene-2-(2-methylprop-2-enylidene)morpholine
PubChem CID164573476
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Nameethane;(2E)-3-methylidene-2-(2-methylprop-2-enylidene)morpholine
SMILESC=C(C)/C=C1/OCCNC1=C.CC
InChIInChI=1S/C9H13NO.C2H6/c1-7(2)6-9-8(3)10-4-5-11-9;1-2/h6,10H,1,3-5H2,2H3;1-2H3/b9-6+;
InChIKeyIIVPXXYOMCBSPC-MLBSPLJJSA-N
XLogP2.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3Z)-3-(1-fluoro-2-methylprop-2-enylidene)-2-methylidenemorpholine
CID 144959959
Diathoxydihydro-Collidin
CID 129629331
3,4,6,7-tetrahydro-2H-1,4-benzoxazine
CID 57902506
5-[(Z)-3-methylbut-1-enyl]-6-[(Z)-prop-1-enyl]-3,4-dihydro-2H-1,4-oxazine
CID 70330097
14-Methoxy-6-oxa-3-azatricyclo[9.4.0.02,7]pentadeca-1,7,9,10,12,14-hexaene
CID 89139683
6-ethenyl-5-[(Z)-3-methylbut-1-enyl]-3,4-dihydro-2H-1,4-oxazine
CID 89334732
methyl-[(Z,1Z)-3-methyl-1-(4-methyl-3-methylidenemorpholin-2-ylidene)pent-2-enyl]phosphane
CID 126706693
(3E)-3-[(Z)-2-methylbut-2-enylidene]-2-methylidene-1,4-oxazepane
CID 130320370
2-Methyl-2,3,4,6-tetrahydrocyclohepta[b][1,4]oxazine
CID 130340457
(1Z,3Z)-1-morpholin-2-ylpenta-1,3-diene-1,4-diamine
CID 134406465
(3E,5Z)-3-methoxy-N,5-dimethylhepta-1,3,5-trien-2-amine
CID 137427656
6-methyl-5-[(1Z)-3-methylbuta-1,3-dienyl]-3,4-dihydro-2H-1,4-oxazine
CID 138527721

Frequently Asked Questions

What is the IUPAC name of ethane;(2E)-3-methylidene-2-(2-methylprop-2-enylidene)morpholine?
The IUPAC name of ethane;(2E)-3-methylidene-2-(2-methylprop-2-enylidene)morpholine (CID 164573476) is ethane;(2E)-3-methylidene-2-(2-methylprop-2-enylidene)morpholine.
What is the SMILES notation for ethane;(2E)-3-methylidene-2-(2-methylprop-2-enylidene)morpholine?
The canonical SMILES for ethane;(2E)-3-methylidene-2-(2-methylprop-2-enylidene)morpholine is C=C(C)/C=C1/OCCNC1=C.CC.
What is the InChIKey of ethane;(2E)-3-methylidene-2-(2-methylprop-2-enylidene)morpholine?
The InChIKey is IIVPXXYOMCBSPC-MLBSPLJJSA-N. The full InChI is InChI=1S/C9H13NO.C2H6/c1-7(2)6-9-8(3)10-4-5-11-9;1-2/h6,10H,1,3-5H2,2H3;1-2H3/b9-6+;.
What are the key properties of ethane;(2E)-3-methylidene-2-(2-methylprop-2-enylidene)morpholine?
ethane;(2E)-3-methylidene-2-(2-methylprop-2-enylidene)morpholine has a molecular weight of 181.28 g/mol, XLogP of 2.61, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2E)-3-methylidene-2-(2-methylprop-2-enylidene)morpholine is sourced from PubChem (CID 164573476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).