About [4-[2-(ethylaminomethyl)prop-2-enyl]morpholin-3-yl]methanol
[4-[2-(ethylaminomethyl)prop-2-enyl]morpholin-3-yl]methanol (PubChem CID 103071364) has the molecular formula C11H22N2O2
and a molecular weight of 214.31 g/mol. Its IUPAC name is [4-[2-(ethylaminomethyl)prop-2-enyl]morpholin-3-yl]methanol.
Molecular Properties
| Compound Name | [4-[2-(ethylaminomethyl)prop-2-enyl]morpholin-3-yl]methanol |
| PubChem CID | 103071364 |
| Molecular Formula | C11H22N2O2 |
| Molecular Weight | 214.31 g/mol |
| Exact Mass | 214.17 |
| IUPAC Name | [4-[2-(ethylaminomethyl)prop-2-enyl]morpholin-3-yl]methanol |
| SMILES | C=C(CNCC)CN1CCOCC1CO |
| InChI | InChI=1S/C11H22N2O2/c1-3-12-6-10(2)7-13-4-5-15-9-11(13)8-14/h11-12,14H,2-9H2,1H3 |
| InChIKey | TYZAWZRAZXHENC-UHFFFAOYSA-N |
| XLogP | -0.15 |
| TPSA | 44.73 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Heavy Atoms | 15 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 214.31 |
| LogP ≤ 5 | -0.15 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 4 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'isolated_alkene', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of [4-[2-(ethylaminomethyl)prop-2-enyl]morpholin-3-yl]methanol?
The IUPAC name of [4-[2-(ethylaminomethyl)prop-2-enyl]morpholin-3-yl]methanol (CID 103071364) is [4-[2-(ethylaminomethyl)prop-2-enyl]morpholin-3-yl]methanol.
What is the SMILES notation for [4-[2-(ethylaminomethyl)prop-2-enyl]morpholin-3-yl]methanol?
The canonical SMILES for [4-[2-(ethylaminomethyl)prop-2-enyl]morpholin-3-yl]methanol is C=C(CNCC)CN1CCOCC1CO.
What is the InChIKey of [4-[2-(ethylaminomethyl)prop-2-enyl]morpholin-3-yl]methanol?
The InChIKey is TYZAWZRAZXHENC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-3-12-6-10(2)7-13-4-5-15-9-11(13)8-14/h11-12,14H,2-9H2,1H3.
What are the key properties of [4-[2-(ethylaminomethyl)prop-2-enyl]morpholin-3-yl]methanol?
[4-[2-(ethylaminomethyl)prop-2-enyl]morpholin-3-yl]methanol has a molecular weight of 214.31 g/mol, XLogP of -0.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(ethylaminomethyl)prop-2-enyl]morpholin-3-yl]methanol is sourced from PubChem (CID 103071364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).