prop-2-enyl 3-(hydroxymethyl)morpholine-4-carboxylate

C9H15NO4 — CID 19915005

IUPACprop-2-enyl 3-(hydroxymethyl)morpholine-4-carboxylate
SMILESC=CCOC(=O)N1CCOCC1CO
InChIInChI=1S/C9H15NO4/c1-2-4-14-9(12)10-3-5-13-7-8(10)6-11/h2,8,11H,1,3-7H2
InChIKeyZVSJKVFYPOHLNZ-UHFFFAOYSA-N
MW201.22 g/mol
LogP0.00
Rot. Bonds3

About prop-2-enyl 3-(hydroxymethyl)morpholine-4-carboxylate

prop-2-enyl 3-(hydroxymethyl)morpholine-4-carboxylate (PubChem CID 19915005) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is prop-2-enyl 3-(hydroxymethyl)morpholine-4-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl 3-(hydroxymethyl)morpholine-4-carboxylate
PubChem CID19915005
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Nameprop-2-enyl 3-(hydroxymethyl)morpholine-4-carboxylate
SMILESC=CCOC(=O)N1CCOCC1CO
InChIInChI=1S/C9H15NO4/c1-2-4-14-9(12)10-3-5-13-7-8(10)6-11/h2,8,11H,1,3-7H2
InChIKeyZVSJKVFYPOHLNZ-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

3-O-methyl 4-O-prop-2-enyl morpholine-3,4-dicarboxylate
CID 104774851
2-hydroxyethyl 3-ethylmorpholine-4-carboxylate
CID 79349487
3-(hydroxymethyl)morpholine-4-carbaldehyde
CID 87595725
(2S)-2-amino-1-[3-(hydroxymethyl)morpholin-4-yl]-4-methylpentan-1-one
CID 104877390
(2,2-dimethylcyclopropyl)-[3-(hydroxymethyl)morpholin-4-yl]methanone
CID 107002178
N'-hydroxy-3-[3-(hydroxymethyl)morpholin-4-yl]-2-methyl-3-oxopropanimidamide
CID 104877501
prop-2-enyl (2S,4R)-2-(hydroxymethyl)-4-methylsulfonyloxypyrrolidine-1-carboxylate
CID 18639172
[(3R)-3-(hydroxymethyl)morpholin-4-yl]-phenylmethanone;hydrochloride
CID 118953500
tert-butyl (3S)-3-(aminomethyl)morpholine-4-carboxylate;hydrochloride
CID 84819306
[3,5-bis(trifluoromethyl)phenyl]-[(3S)-3-(hydroxymethyl)morpholin-4-yl]methanone
CID 97040164
benzyl (3R)-3-(aminomethyl)morpholine-4-carboxylate
CID 91666877
ethyl 3-benzylmorpholine-4-carboxylate
CID 110749949

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 3-(hydroxymethyl)morpholine-4-carboxylate?
The IUPAC name of prop-2-enyl 3-(hydroxymethyl)morpholine-4-carboxylate (CID 19915005) is prop-2-enyl 3-(hydroxymethyl)morpholine-4-carboxylate.
What is the SMILES notation for prop-2-enyl 3-(hydroxymethyl)morpholine-4-carboxylate?
The canonical SMILES for prop-2-enyl 3-(hydroxymethyl)morpholine-4-carboxylate is C=CCOC(=O)N1CCOCC1CO.
What is the InChIKey of prop-2-enyl 3-(hydroxymethyl)morpholine-4-carboxylate?
The InChIKey is ZVSJKVFYPOHLNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO4/c1-2-4-14-9(12)10-3-5-13-7-8(10)6-11/h2,8,11H,1,3-7H2.
What are the key properties of prop-2-enyl 3-(hydroxymethyl)morpholine-4-carboxylate?
prop-2-enyl 3-(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 3-(hydroxymethyl)morpholine-4-carboxylate is sourced from PubChem (CID 19915005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).