bis(prop-2-enyl) 2-(2-morpholin-4-ylethyl)propanedioate

C15H23NO5 — CID 57309456

IUPACbis(prop-2-enyl) 2-(2-morpholin-4-ylethyl)propanedioate
SMILESC=CCOC(=O)C(CCN1CCOCC1)C(=O)OCC=C
InChIInChI=1S/C15H23NO5/c1-3-9-20-14(17)13(15(18)21-10-4-2)5-6-16-7-11-19-12-8-16/h3-4,13H,1-2,5-12H2
InChIKeyPYTBXMQQYYSFGB-UHFFFAOYSA-N
MW297.35 g/mol
LogP0.78
Rot. Bonds9

About bis(prop-2-enyl) 2-(2-morpholin-4-ylethyl)propanedioate

bis(prop-2-enyl) 2-(2-morpholin-4-ylethyl)propanedioate (PubChem CID 57309456) has the molecular formula C15H23NO5 and a molecular weight of 297.35 g/mol. Its IUPAC name is bis(prop-2-enyl) 2-(2-morpholin-4-ylethyl)propanedioate.

Molecular Properties

Compound Namebis(prop-2-enyl) 2-(2-morpholin-4-ylethyl)propanedioate
PubChem CID57309456
Molecular FormulaC15H23NO5
Molecular Weight297.35 g/mol
Exact Mass297.16
IUPAC Namebis(prop-2-enyl) 2-(2-morpholin-4-ylethyl)propanedioate
SMILESC=CCOC(=O)C(CCN1CCOCC1)C(=O)OCC=C
InChIInChI=1S/C15H23NO5/c1-3-9-20-14(17)13(15(18)21-10-4-2)5-6-16-7-11-19-12-8-16/h3-4,13H,1-2,5-12H2
InChIKeyPYTBXMQQYYSFGB-UHFFFAOYSA-N
XLogP0.78
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 50.78
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-4-morpholin-4-ylbutanoic acid
CID 103973536
2-morpholin-4-ylethyl but-3-enoate
CID 163582404
2-morpholin-4-ylethyl 2-iodobut-3-enoate
CID 162508454
bis(2-morpholin-4-ylethyl) but-2-enedioate
CID 69032977
methyl (2S)-2-(chloroamino)-4-morpholin-4-ylbutanoate
CID 59414204
ethyl 2-amino-4-(1,4-oxazepan-4-yl)butanoate
CID 63054023
4-oct-7-enylmorpholine
CID 67850758
hydroxymethyl 3-morpholin-4-ylpropanoate
CID 166468401
4-methyl-6-morpholin-4-ylhexan-3-one
CID 79416722
2-methyl-4-morpholin-4-ylbutanoate;hydrochloride
CID 23621496
ethane;2-morpholin-4-ylethyl 2-methylpropanoate
CID 156731056
1-O-ethyl 3-O-(7-morpholin-4-ylheptyl) 2-ethylpropanedioate
CID 67760616

Frequently Asked Questions

What is the IUPAC name of bis(prop-2-enyl) 2-(2-morpholin-4-ylethyl)propanedioate?
The IUPAC name of bis(prop-2-enyl) 2-(2-morpholin-4-ylethyl)propanedioate (CID 57309456) is bis(prop-2-enyl) 2-(2-morpholin-4-ylethyl)propanedioate.
What is the SMILES notation for bis(prop-2-enyl) 2-(2-morpholin-4-ylethyl)propanedioate?
The canonical SMILES for bis(prop-2-enyl) 2-(2-morpholin-4-ylethyl)propanedioate is C=CCOC(=O)C(CCN1CCOCC1)C(=O)OCC=C.
What is the InChIKey of bis(prop-2-enyl) 2-(2-morpholin-4-ylethyl)propanedioate?
The InChIKey is PYTBXMQQYYSFGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO5/c1-3-9-20-14(17)13(15(18)21-10-4-2)5-6-16-7-11-19-12-8-16/h3-4,13H,1-2,5-12H2.
What are the key properties of bis(prop-2-enyl) 2-(2-morpholin-4-ylethyl)propanedioate?
bis(prop-2-enyl) 2-(2-morpholin-4-ylethyl)propanedioate has a molecular weight of 297.35 g/mol, XLogP of 0.78, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(prop-2-enyl) 2-(2-morpholin-4-ylethyl)propanedioate is sourced from PubChem (CID 57309456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).