(2E)-2-[(Z)-but-2-enylidene]-3-methylidenemorpholine;(2E)-2-[(Z)-but-2-enylidene]-3-methylidenepiperazine

C18H27N3O — CID 143998300

IUPAC(2E)-2-[(Z)-but-2-enylidene]-3-methylidenemorpholine;(2E)-2-[(Z)-but-2-enylidene]-3-methylidenepiperazine
SMILESC=C1NCCN/C1=C/C=C\C.C=C1NCCO/C1=C/C=C\C
InChIInChI=1S/C9H14N2.C9H13NO/c2*1-3-4-5-9-8(2)10-6-7-11-9/h3-5,10-11H,2,6-7H2,1H3;3-5,10H,2,6-7H2,1H3/b2*4-3-,9-5+
InChIKeyUGTAOFPEHKSBPX-CQHLDIIDSA-N
MW301.43 g/mol
LogP2.73
Rot. Bonds2

About (2E)-2-[(Z)-but-2-enylidene]-3-methylidenemorpholine;(2E)-2-[(Z)-but-2-enylidene]-3-methylidenepiperazine

(2E)-2-[(Z)-but-2-enylidene]-3-methylidenemorpholine;(2E)-2-[(Z)-but-2-enylidene]-3-methylidenepiperazine (PubChem CID 143998300) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is (2E)-2-[(Z)-but-2-enylidene]-3-methylidenemorpholine;(2E)-2-[(Z)-but-2-enylidene]-3-methylidenepiperazine.

Molecular Properties

Compound Name(2E)-2-[(Z)-but-2-enylidene]-3-methylidenemorpholine;(2E)-2-[(Z)-but-2-enylidene]-3-methylidenepiperazine
PubChem CID143998300
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC Name(2E)-2-[(Z)-but-2-enylidene]-3-methylidenemorpholine;(2E)-2-[(Z)-but-2-enylidene]-3-methylidenepiperazine
SMILESC=C1NCCN/C1=C/C=C\C.C=C1NCCO/C1=C/C=C\C
InChIInChI=1S/C9H14N2.C9H13NO/c2*1-3-4-5-9-8(2)10-6-7-11-9/h3-5,10-11H,2,6-7H2,1H3;3-5,10H,2,6-7H2,1H3/b2*4-3-,9-5+
InChIKeyUGTAOFPEHKSBPX-CQHLDIIDSA-N
XLogP2.73
TPSA45.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(Z)-but-2-enylidene]-3-methylidenemorpholine;(2E)-2-[(Z)-but-2-enylidene]-3-methylidenepiperazine?
The IUPAC name of (2E)-2-[(Z)-but-2-enylidene]-3-methylidenemorpholine;(2E)-2-[(Z)-but-2-enylidene]-3-methylidenepiperazine (CID 143998300) is (2E)-2-[(Z)-but-2-enylidene]-3-methylidenemorpholine;(2E)-2-[(Z)-but-2-enylidene]-3-methylidenepiperazine.
What is the SMILES notation for (2E)-2-[(Z)-but-2-enylidene]-3-methylidenemorpholine;(2E)-2-[(Z)-but-2-enylidene]-3-methylidenepiperazine?
The canonical SMILES for (2E)-2-[(Z)-but-2-enylidene]-3-methylidenemorpholine;(2E)-2-[(Z)-but-2-enylidene]-3-methylidenepiperazine is C=C1NCCN/C1=C/C=C\C.C=C1NCCO/C1=C/C=C\C.
What is the InChIKey of (2E)-2-[(Z)-but-2-enylidene]-3-methylidenemorpholine;(2E)-2-[(Z)-but-2-enylidene]-3-methylidenepiperazine?
The InChIKey is UGTAOFPEHKSBPX-CQHLDIIDSA-N. The full InChI is InChI=1S/C9H14N2.C9H13NO/c2*1-3-4-5-9-8(2)10-6-7-11-9/h3-5,10-11H,2,6-7H2,1H3;3-5,10H,2,6-7H2,1H3/b2*4-3-,9-5+.
What are the key properties of (2E)-2-[(Z)-but-2-enylidene]-3-methylidenemorpholine;(2E)-2-[(Z)-but-2-enylidene]-3-methylidenepiperazine?
(2E)-2-[(Z)-but-2-enylidene]-3-methylidenemorpholine;(2E)-2-[(Z)-but-2-enylidene]-3-methylidenepiperazine has a molecular weight of 301.43 g/mol, XLogP of 2.73, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(Z)-but-2-enylidene]-3-methylidenemorpholine;(2E)-2-[(Z)-but-2-enylidene]-3-methylidenepiperazine is sourced from PubChem (CID 143998300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).