diethyl 2-(morpholin-4-ylmethyl)-2-prop-2-enylpropanedioate

C15H25NO5 — CID 21204648

IUPACdiethyl 2-(morpholin-4-ylmethyl)-2-prop-2-enylpropanedioate
SMILESC=CCC(CN1CCOCC1)(C(=O)OCC)C(=O)OCC
InChIInChI=1S/C15H25NO5/c1-4-7-15(13(17)20-5-2,14(18)21-6-3)12-16-8-10-19-11-9-16/h4H,1,5-12H2,2-3H3
InChIKeyNJWZZIOYOORESM-UHFFFAOYSA-N
MW299.37 g/mol
LogP1.01
Rot. Bonds8

About diethyl 2-(morpholin-4-ylmethyl)-2-prop-2-enylpropanedioate

diethyl 2-(morpholin-4-ylmethyl)-2-prop-2-enylpropanedioate (PubChem CID 21204648) has the molecular formula C15H25NO5 and a molecular weight of 299.37 g/mol. Its IUPAC name is diethyl 2-(morpholin-4-ylmethyl)-2-prop-2-enylpropanedioate.

Molecular Properties

Compound Namediethyl 2-(morpholin-4-ylmethyl)-2-prop-2-enylpropanedioate
PubChem CID21204648
Molecular FormulaC15H25NO5
Molecular Weight299.37 g/mol
Exact Mass299.17
IUPAC Namediethyl 2-(morpholin-4-ylmethyl)-2-prop-2-enylpropanedioate
SMILESC=CCC(CN1CCOCC1)(C(=O)OCC)C(=O)OCC
InChIInChI=1S/C15H25NO5/c1-4-7-15(13(17)20-5-2,14(18)21-6-3)12-16-8-10-19-11-9-16/h4H,1,5-12H2,2-3H3
InChIKeyNJWZZIOYOORESM-UHFFFAOYSA-N
XLogP1.01
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-ethoxycarbonyl-2-(2-methylpropyl)pent-4-enoic acid
CID 103973920
ethyl 2-methyl-2-morpholin-4-ylpropanoate
CID 13022015
4,4-bis(ethoxycarbonyl)hept-6-enoic acid
CID 10635887
ethyl 2-amino-2-cyclopropyl-3-(1,4-oxazepan-4-yl)propanoate
CID 63927435
diethyl 2-pent-2-ynyl-2-prop-2-enylpropanedioate
CID 10880020
diethyl 2-(diethylaminomethyl)-2-prop-2-enylpropanedioate chloride
CID 21204581
bis(prop-2-enyl) 2-(2-amino-2-ethoxyethyl)-2-morpholin-4-ylpropanedioate
CID 54214318
diethyl 2-(5,5-dimethylhex-2-ynyl)-2-prop-2-enylpropanedioate
CID 102185388
ethyl 2-acetyl-2-(2-bromoethyl)pent-4-enoate
CID 157378245
ethyl 2-amino-2-methyl-4-(1,4-oxazepan-4-yl)butanoate
CID 62974765
diethyl 2-pent-3-ynyl-2-prop-2-enylpropanedioate
CID 101238764
ethyl 2-amino-2-methylpent-4-enoate
CID 10103394

Frequently Asked Questions

What is the IUPAC name of diethyl 2-(morpholin-4-ylmethyl)-2-prop-2-enylpropanedioate?
The IUPAC name of diethyl 2-(morpholin-4-ylmethyl)-2-prop-2-enylpropanedioate (CID 21204648) is diethyl 2-(morpholin-4-ylmethyl)-2-prop-2-enylpropanedioate.
What is the SMILES notation for diethyl 2-(morpholin-4-ylmethyl)-2-prop-2-enylpropanedioate?
The canonical SMILES for diethyl 2-(morpholin-4-ylmethyl)-2-prop-2-enylpropanedioate is C=CCC(CN1CCOCC1)(C(=O)OCC)C(=O)OCC.
What is the InChIKey of diethyl 2-(morpholin-4-ylmethyl)-2-prop-2-enylpropanedioate?
The InChIKey is NJWZZIOYOORESM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO5/c1-4-7-15(13(17)20-5-2,14(18)21-6-3)12-16-8-10-19-11-9-16/h4H,1,5-12H2,2-3H3.
What are the key properties of diethyl 2-(morpholin-4-ylmethyl)-2-prop-2-enylpropanedioate?
diethyl 2-(morpholin-4-ylmethyl)-2-prop-2-enylpropanedioate has a molecular weight of 299.37 g/mol, XLogP of 1.01, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-(morpholin-4-ylmethyl)-2-prop-2-enylpropanedioate is sourced from PubChem (CID 21204648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).