(2E,3E)-2,3-bis(prop-2-enylidene)morpholine;ethane;N-methylacetamide

C17H32N2O2 — CID 144958449

IUPAC(2E,3E)-2,3-bis(prop-2-enylidene)morpholine;ethane;N-methylacetamide
SMILESC=C/C=C1/NCCO/C1=C/C=C.CC.CC.CNC(C)=O
InChIInChI=1S/C10H13NO.C3H7NO.2C2H6/c1-3-5-9-10(6-4-2)12-8-7-11-9;1-3(5)4-2;2*1-2/h3-6,11H,1-2,7-8H2;1-2H3,(H,4,5);2*1-2H3/b9-5+,10-6+;;;
InChIKeyXPJAFGSRMPVLRF-WDSFPQLTSA-N
MW296.46 g/mol
LogP3.55
Rot. Bonds2

About (2E,3E)-2,3-bis(prop-2-enylidene)morpholine;ethane;N-methylacetamide

(2E,3E)-2,3-bis(prop-2-enylidene)morpholine;ethane;N-methylacetamide (PubChem CID 144958449) has the molecular formula C17H32N2O2 and a molecular weight of 296.46 g/mol. Its IUPAC name is (2E,3E)-2,3-bis(prop-2-enylidene)morpholine;ethane;N-methylacetamide.

Molecular Properties

Compound Name(2E,3E)-2,3-bis(prop-2-enylidene)morpholine;ethane;N-methylacetamide
PubChem CID144958449
Molecular FormulaC17H32N2O2
Molecular Weight296.46 g/mol
Exact Mass296.25
IUPAC Name(2E,3E)-2,3-bis(prop-2-enylidene)morpholine;ethane;N-methylacetamide
SMILESC=C/C=C1/NCCO/C1=C/C=C.CC.CC.CNC(C)=O
InChIInChI=1S/C10H13NO.C3H7NO.2C2H6/c1-3-5-9-10(6-4-2)12-8-7-11-9;1-3(5)4-2;2*1-2/h3-6,11H,1-2,7-8H2;1-2H3,(H,4,5);2*1-2H3/b9-5+,10-6+;;;
InChIKeyXPJAFGSRMPVLRF-WDSFPQLTSA-N
XLogP3.55
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2E,3E)-2,3-bis(prop-2-enylidene)morpholine;ethane;N-methylacetamide?
The IUPAC name of (2E,3E)-2,3-bis(prop-2-enylidene)morpholine;ethane;N-methylacetamide (CID 144958449) is (2E,3E)-2,3-bis(prop-2-enylidene)morpholine;ethane;N-methylacetamide.
What is the SMILES notation for (2E,3E)-2,3-bis(prop-2-enylidene)morpholine;ethane;N-methylacetamide?
The canonical SMILES for (2E,3E)-2,3-bis(prop-2-enylidene)morpholine;ethane;N-methylacetamide is C=C/C=C1/NCCO/C1=C/C=C.CC.CC.CNC(C)=O.
What is the InChIKey of (2E,3E)-2,3-bis(prop-2-enylidene)morpholine;ethane;N-methylacetamide?
The InChIKey is XPJAFGSRMPVLRF-WDSFPQLTSA-N. The full InChI is InChI=1S/C10H13NO.C3H7NO.2C2H6/c1-3-5-9-10(6-4-2)12-8-7-11-9;1-3(5)4-2;2*1-2/h3-6,11H,1-2,7-8H2;1-2H3,(H,4,5);2*1-2H3/b9-5+,10-6+;;;.
What are the key properties of (2E,3E)-2,3-bis(prop-2-enylidene)morpholine;ethane;N-methylacetamide?
(2E,3E)-2,3-bis(prop-2-enylidene)morpholine;ethane;N-methylacetamide has a molecular weight of 296.46 g/mol, XLogP of 3.55, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3E)-2,3-bis(prop-2-enylidene)morpholine;ethane;N-methylacetamide is sourced from PubChem (CID 144958449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).