(2E)-2-(5-methyloxolan-2-ylidene)-1-morpholin-4-ylethanone

C11H17NO3 — CID 101440721

IUPAC(2E)-2-(5-methyloxolan-2-ylidene)-1-morpholin-4-ylethanone
SMILESCC1CC/C(=C\C(=O)N2CCOCC2)O1
InChIInChI=1S/C11H17NO3/c1-9-2-3-10(15-9)8-11(13)12-4-6-14-7-5-12/h8-9H,2-7H2,1H3/b10-8+
InChIKeyAOCWPQRORYYNBN-CSKARUKUSA-N
MW211.26 g/mol
LogP0.93
Rot. Bonds1

About (2E)-2-(5-methyloxolan-2-ylidene)-1-morpholin-4-ylethanone

(2E)-2-(5-methyloxolan-2-ylidene)-1-morpholin-4-ylethanone (PubChem CID 101440721) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is (2E)-2-(5-methyloxolan-2-ylidene)-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name(2E)-2-(5-methyloxolan-2-ylidene)-1-morpholin-4-ylethanone
PubChem CID101440721
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name(2E)-2-(5-methyloxolan-2-ylidene)-1-morpholin-4-ylethanone
SMILESCC1CC/C(=C\C(=O)N2CCOCC2)O1
InChIInChI=1S/C11H17NO3/c1-9-2-3-10(15-9)8-11(13)12-4-6-14-7-5-12/h8-9H,2-7H2,1H3/b10-8+
InChIKeyAOCWPQRORYYNBN-CSKARUKUSA-N
XLogP0.93
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2E)-1-morpholin-4-yl-2-(oxolan-2-ylidene)ethanone
CID 101440720
(2E)-2-(5,5-dimethyloxolan-2-ylidene)-1-morpholin-4-ylethanone
CID 134855858
(2E)-N,N-diethyl-2-(5-methyloxolan-2-ylidene)acetamide
CID 134855897
(2Z)-2-(5-ethenyloxolan-2-ylidene)-N,N-diethylacetamide
CID 10899853
(2E)-N,N-diethyl-2-(oxolan-2-ylidene)acetamide
CID 11446731
Morpholin-4-yl(2,3,4,5-tetrahydrooxepin-7-yl)methanone
CID 24814125
(2Z)-N,N-diethyl-2-(oxolan-2-ylidene)acetamide
CID 101028550

Frequently Asked Questions

What is the IUPAC name of (2E)-2-(5-methyloxolan-2-ylidene)-1-morpholin-4-ylethanone?
The IUPAC name of (2E)-2-(5-methyloxolan-2-ylidene)-1-morpholin-4-ylethanone (CID 101440721) is (2E)-2-(5-methyloxolan-2-ylidene)-1-morpholin-4-ylethanone.
What is the SMILES notation for (2E)-2-(5-methyloxolan-2-ylidene)-1-morpholin-4-ylethanone?
The canonical SMILES for (2E)-2-(5-methyloxolan-2-ylidene)-1-morpholin-4-ylethanone is CC1CC/C(=C\C(=O)N2CCOCC2)O1.
What is the InChIKey of (2E)-2-(5-methyloxolan-2-ylidene)-1-morpholin-4-ylethanone?
The InChIKey is AOCWPQRORYYNBN-CSKARUKUSA-N. The full InChI is InChI=1S/C11H17NO3/c1-9-2-3-10(15-9)8-11(13)12-4-6-14-7-5-12/h8-9H,2-7H2,1H3/b10-8+.
What are the key properties of (2E)-2-(5-methyloxolan-2-ylidene)-1-morpholin-4-ylethanone?
(2E)-2-(5-methyloxolan-2-ylidene)-1-morpholin-4-ylethanone has a molecular weight of 211.26 g/mol, XLogP of 0.93, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(5-methyloxolan-2-ylidene)-1-morpholin-4-ylethanone is sourced from PubChem (CID 101440721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).