morpholine;prop-2-enoxymethanediol

C8H17NO4 — CID 88677633

IUPACmorpholine;prop-2-enoxymethanediol
SMILESC1COCCN1.C=CCOC(O)O
InChIInChI=1S/C4H9NO.C4H8O3/c1-3-6-4-2-5-1;1-2-3-7-4(5)6/h5H,1-4H2;2,4-6H,1,3H2
InChIKeyVWRJLQAJPVBWCT-UHFFFAOYSA-N
MW191.23 g/mol
LogP-0.94
Rot. Bonds3

About morpholine;prop-2-enoxymethanediol

morpholine;prop-2-enoxymethanediol (PubChem CID 88677633) has the molecular formula C8H17NO4 and a molecular weight of 191.23 g/mol. Its IUPAC name is morpholine;prop-2-enoxymethanediol.

Molecular Properties

Compound Namemorpholine;prop-2-enoxymethanediol
PubChem CID88677633
Molecular FormulaC8H17NO4
Molecular Weight191.23 g/mol
Exact Mass191.12
IUPAC Namemorpholine;prop-2-enoxymethanediol
SMILESC1COCCN1.C=CCOC(O)O
InChIInChI=1S/C4H9NO.C4H8O3/c1-3-6-4-2-5-1;1-2-3-7-4(5)6/h5H,1-4H2;2,4-6H,1,3H2
InChIKeyVWRJLQAJPVBWCT-UHFFFAOYSA-N
XLogP-0.94
TPSA70.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 5-0.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of morpholine;prop-2-enoxymethanediol?
The IUPAC name of morpholine;prop-2-enoxymethanediol (CID 88677633) is morpholine;prop-2-enoxymethanediol.
What is the SMILES notation for morpholine;prop-2-enoxymethanediol?
The canonical SMILES for morpholine;prop-2-enoxymethanediol is C1COCCN1.C=CCOC(O)O.
What is the InChIKey of morpholine;prop-2-enoxymethanediol?
The InChIKey is VWRJLQAJPVBWCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO.C4H8O3/c1-3-6-4-2-5-1;1-2-3-7-4(5)6/h5H,1-4H2;2,4-6H,1,3H2.
What are the key properties of morpholine;prop-2-enoxymethanediol?
morpholine;prop-2-enoxymethanediol has a molecular weight of 191.23 g/mol, XLogP of -0.94, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for morpholine;prop-2-enoxymethanediol is sourced from PubChem (CID 88677633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).