morpholin-2-yl prop-2-enoate

C7H11NO3 — CID 22497789

IUPACmorpholin-2-yl prop-2-enoate
SMILESC=CC(=O)OC1CNCCO1
InChIInChI=1S/C7H11NO3/c1-2-6(9)11-7-5-8-3-4-10-7/h2,7-8H,1,3-5H2
InChIKeySZXGJSNIZUWVDJ-UHFFFAOYSA-N
MW157.17 g/mol
LogP-0.34
Rot. Bonds2

About morpholin-2-yl prop-2-enoate

morpholin-2-yl prop-2-enoate (PubChem CID 22497789) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is morpholin-2-yl prop-2-enoate.

Molecular Properties

Compound Namemorpholin-2-yl prop-2-enoate
PubChem CID22497789
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Namemorpholin-2-yl prop-2-enoate
SMILESC=CC(=O)OC1CNCCO1
InChIInChI=1S/C7H11NO3/c1-2-6(9)11-7-5-8-3-4-10-7/h2,7-8H,1,3-5H2
InChIKeySZXGJSNIZUWVDJ-UHFFFAOYSA-N
XLogP-0.34
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of morpholin-2-yl prop-2-enoate?
The IUPAC name of morpholin-2-yl prop-2-enoate (CID 22497789) is morpholin-2-yl prop-2-enoate.
What is the SMILES notation for morpholin-2-yl prop-2-enoate?
The canonical SMILES for morpholin-2-yl prop-2-enoate is C=CC(=O)OC1CNCCO1.
What is the InChIKey of morpholin-2-yl prop-2-enoate?
The InChIKey is SZXGJSNIZUWVDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3/c1-2-6(9)11-7-5-8-3-4-10-7/h2,7-8H,1,3-5H2.
What are the key properties of morpholin-2-yl prop-2-enoate?
morpholin-2-yl prop-2-enoate has a molecular weight of 157.17 g/mol, XLogP of -0.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-2-yl prop-2-enoate is sourced from PubChem (CID 22497789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).