prop-2-enyl 2-(hydroxymethyl)morpholine-4-carboxylate

C9H15NO4 — CID 81209419

IUPACprop-2-enyl 2-(hydroxymethyl)morpholine-4-carboxylate
SMILESC=CCOC(=O)N1CCOC(CO)C1
InChIInChI=1S/C9H15NO4/c1-2-4-14-9(12)10-3-5-13-8(6-10)7-11/h2,8,11H,1,3-7H2
InChIKeyMCXJJRGMAOKTFA-UHFFFAOYSA-N
MW201.22 g/mol
LogP0.00
Rot. Bonds3

About prop-2-enyl 2-(hydroxymethyl)morpholine-4-carboxylate

prop-2-enyl 2-(hydroxymethyl)morpholine-4-carboxylate (PubChem CID 81209419) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is prop-2-enyl 2-(hydroxymethyl)morpholine-4-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl 2-(hydroxymethyl)morpholine-4-carboxylate
PubChem CID81209419
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Nameprop-2-enyl 2-(hydroxymethyl)morpholine-4-carboxylate
SMILESC=CCOC(=O)N1CCOC(CO)C1
InChIInChI=1S/C9H15NO4/c1-2-4-14-9(12)10-3-5-13-8(6-10)7-11/h2,8,11H,1,3-7H2
InChIKeyMCXJJRGMAOKTFA-UHFFFAOYSA-N
XLogP0.00
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl (2S)-2-(hydroxymethyl)morpholine-4-carboxylate;tert-butyl (2R)-2-(hydroxymethyl)morpholine-4-carboxylate
CID 86593644
prop-2-enyl (3S)-3-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 165416751
cyclopropyl-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81208707
1-[2-(hydroxymethyl)morpholin-4-yl]-2-methoxyethanone
CID 81208943
phenyl 2-(hydroxymethyl)morpholine-4-carboxylate
CID 81218922
2-bromo-1-[2-(hydroxymethyl)morpholin-4-yl]ethanone
CID 81203713
(E)-4-[2-(hydroxymethyl)morpholin-4-yl]-4-oxobut-2-enoic acid
CID 81203259
tert-butyl (2S)-2-(hydroxymethyl)morpholine-4-carboxylate;tert-butyl 3-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 160517937
[2-(hydroxymethyl)morpholin-4-yl]-(2-methylcyclopropyl)methanone
CID 81208013
cyclopent-3-en-1-yl-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81208885
(2S,3S)-2-amino-1-[2-(hydroxymethyl)morpholin-4-yl]-3-methylpentan-1-one
CID 81203815
(2S)-2-amino-1-[2-(hydroxymethyl)morpholin-4-yl]butan-1-one
CID 81203282

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 2-(hydroxymethyl)morpholine-4-carboxylate?
The IUPAC name of prop-2-enyl 2-(hydroxymethyl)morpholine-4-carboxylate (CID 81209419) is prop-2-enyl 2-(hydroxymethyl)morpholine-4-carboxylate.
What is the SMILES notation for prop-2-enyl 2-(hydroxymethyl)morpholine-4-carboxylate?
The canonical SMILES for prop-2-enyl 2-(hydroxymethyl)morpholine-4-carboxylate is C=CCOC(=O)N1CCOC(CO)C1.
What is the InChIKey of prop-2-enyl 2-(hydroxymethyl)morpholine-4-carboxylate?
The InChIKey is MCXJJRGMAOKTFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO4/c1-2-4-14-9(12)10-3-5-13-8(6-10)7-11/h2,8,11H,1,3-7H2.
What are the key properties of prop-2-enyl 2-(hydroxymethyl)morpholine-4-carboxylate?
prop-2-enyl 2-(hydroxymethyl)morpholine-4-carboxylate has a molecular weight of 201.22 g/mol, XLogP of 0.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 2-(hydroxymethyl)morpholine-4-carboxylate is sourced from PubChem (CID 81209419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).