(2E)-2-[(Z)-but-2-enylidene]-3-propan-2-ylidenemorpholine

C11H17NO — CID 145448927

IUPAC(2E)-2-[(Z)-but-2-enylidene]-3-propan-2-ylidenemorpholine
SMILESC/C=C\C=C1\OCCNC1=C(C)C
InChIInChI=1S/C11H17NO/c1-4-5-6-10-11(9(2)3)12-7-8-13-10/h4-6,12H,7-8H2,1-3H3/b5-4-,10-6+
InChIKeyYHJIBQNFWQHPSR-VWJYOPCBSA-N
MW179.26 g/mol
LogP2.36
Rot. Bonds1

About (2E)-2-[(Z)-but-2-enylidene]-3-propan-2-ylidenemorpholine

(2E)-2-[(Z)-but-2-enylidene]-3-propan-2-ylidenemorpholine (PubChem CID 145448927) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is (2E)-2-[(Z)-but-2-enylidene]-3-propan-2-ylidenemorpholine.

Molecular Properties

Compound Name(2E)-2-[(Z)-but-2-enylidene]-3-propan-2-ylidenemorpholine
PubChem CID145448927
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name(2E)-2-[(Z)-but-2-enylidene]-3-propan-2-ylidenemorpholine
SMILESC/C=C\C=C1\OCCNC1=C(C)C
InChIInChI=1S/C11H17NO/c1-4-5-6-10-11(9(2)3)12-7-8-13-10/h4-6,12H,7-8H2,1-3H3/b5-4-,10-6+
InChIKeyYHJIBQNFWQHPSR-VWJYOPCBSA-N
XLogP2.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2Z)-2-(1-fluoroprop-2-enylidene)-3-methylidenemorpholine
CID 145625423
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
6-Methyl-7-prop-1-enyl-2,3,4,5-tetrahydro-1,4-oxazepine
CID 91166624
5-methyl-6-(2-methylprop-1-enyl)-3,4-dihydro-2H-1,4-oxazine
CID 117949988
3-But-2-enylidene-4-methyl-2-(3-methylbut-2-enylidene)morpholine
CID 123995320
(3E)-3-[(Z)-but-2-enylidene]-2-methylidenemorpholine
CID 130336935
6-[(1Z)-buta-1,3-dienyl]-5-ethenyl-3,4-dihydro-2H-1,4-oxazine
CID 132040108
5-methyl-6-[(1Z)-3-methylbuta-1,3-dienyl]-3,4-dihydro-2H-1,4-oxazine
CID 139397113
(5Z,7Z,9Z,11Z,13Z)-3,4-dihydro-2H-cyclododeca[b][1,4]oxazine
CID 141518119
6-ethenyl-5-prop-1-en-2-yl-3,4-dihydro-2H-1,4-oxazine
CID 141890450

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(Z)-but-2-enylidene]-3-propan-2-ylidenemorpholine?
The IUPAC name of (2E)-2-[(Z)-but-2-enylidene]-3-propan-2-ylidenemorpholine (CID 145448927) is (2E)-2-[(Z)-but-2-enylidene]-3-propan-2-ylidenemorpholine.
What is the SMILES notation for (2E)-2-[(Z)-but-2-enylidene]-3-propan-2-ylidenemorpholine?
The canonical SMILES for (2E)-2-[(Z)-but-2-enylidene]-3-propan-2-ylidenemorpholine is C/C=C\C=C1\OCCNC1=C(C)C.
What is the InChIKey of (2E)-2-[(Z)-but-2-enylidene]-3-propan-2-ylidenemorpholine?
The InChIKey is YHJIBQNFWQHPSR-VWJYOPCBSA-N. The full InChI is InChI=1S/C11H17NO/c1-4-5-6-10-11(9(2)3)12-7-8-13-10/h4-6,12H,7-8H2,1-3H3/b5-4-,10-6+.
What are the key properties of (2E)-2-[(Z)-but-2-enylidene]-3-propan-2-ylidenemorpholine?
(2E)-2-[(Z)-but-2-enylidene]-3-propan-2-ylidenemorpholine has a molecular weight of 179.26 g/mol, XLogP of 2.36, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(Z)-but-2-enylidene]-3-propan-2-ylidenemorpholine is sourced from PubChem (CID 145448927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).