ethyl prop-2-enoate;morpholine

C9H17NO3 — CID 18459417

IUPACethyl prop-2-enoate;morpholine
SMILESC1COCCN1.C=CC(=O)OCC
InChIInChI=1S/C5H8O2.C4H9NO/c1-3-5(6)7-4-2;1-3-6-4-2-5-1/h3H,1,4H2,2H3;5H,1-4H2
InChIKeyPSYGHRAHNPRATC-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.34
Rot. Bonds2

About ethyl prop-2-enoate;morpholine

ethyl prop-2-enoate;morpholine (PubChem CID 18459417) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is ethyl prop-2-enoate;morpholine.

Molecular Properties

Compound Nameethyl prop-2-enoate;morpholine
PubChem CID18459417
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Nameethyl prop-2-enoate;morpholine
SMILESC1COCCN1.C=CC(=O)OCC
InChIInChI=1S/C5H8O2.C4H9NO/c1-3-5(6)7-4-2;1-3-6-4-2-5-1/h3H,1,4H2,2H3;5H,1-4H2
InChIKeyPSYGHRAHNPRATC-UHFFFAOYSA-N
XLogP0.34
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.34
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 ethyl prop-2-enoate;morpholine?
The IUPAC name of ethyl prop-2-enoate;morpholine (CID 18459417) is ethyl prop-2-enoate;morpholine.
What is the SMILES notation for ethyl prop-2-enoate;morpholine?
The canonical SMILES for ethyl prop-2-enoate;morpholine is C1COCCN1.C=CC(=O)OCC.
What is the InChIKey of ethyl prop-2-enoate;morpholine?
The InChIKey is PSYGHRAHNPRATC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O2.C4H9NO/c1-3-5(6)7-4-2;1-3-6-4-2-5-1/h3H,1,4H2,2H3;5H,1-4H2.
What are the key properties of ethyl prop-2-enoate;morpholine?
ethyl prop-2-enoate;morpholine has a molecular weight of 187.24 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 ethyl prop-2-enoate;morpholine is sourced from PubChem (CID 18459417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).