methyl prop-2-enoate;morpholine

C8H15NO3 — CID 20981318

IUPACmethyl prop-2-enoate;morpholine
SMILESC1COCCN1.C=CC(=O)OC
InChIInChI=1S/C4H9NO.C4H6O2/c1-3-6-4-2-5-1;1-3-4(5)6-2/h5H,1-4H2;3H,1H2,2H3
InChIKeyHUTCEBBVAOYBMW-UHFFFAOYSA-N
MW173.21 g/mol
LogP-0.05
Rot. Bonds1

About methyl prop-2-enoate;morpholine

methyl prop-2-enoate;morpholine (PubChem CID 20981318) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is methyl prop-2-enoate;morpholine.

Molecular Properties

Compound Namemethyl prop-2-enoate;morpholine
PubChem CID20981318
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Namemethyl prop-2-enoate;morpholine
SMILESC1COCCN1.C=CC(=O)OC
InChIInChI=1S/C4H9NO.C4H6O2/c1-3-6-4-2-5-1;1-3-4(5)6-2/h5H,1-4H2;3H,1H2,2H3
InChIKeyHUTCEBBVAOYBMW-UHFFFAOYSA-N
XLogP-0.05
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 5-0.05
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 methyl prop-2-enoate;morpholine?
The IUPAC name of methyl prop-2-enoate;morpholine (CID 20981318) is methyl prop-2-enoate;morpholine.
What is the SMILES notation for methyl prop-2-enoate;morpholine?
The canonical SMILES for methyl prop-2-enoate;morpholine is C1COCCN1.C=CC(=O)OC.
What is the InChIKey of methyl prop-2-enoate;morpholine?
The InChIKey is HUTCEBBVAOYBMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO.C4H6O2/c1-3-6-4-2-5-1;1-3-4(5)6-2/h5H,1-4H2;3H,1H2,2H3.
What are the key properties of methyl prop-2-enoate;morpholine?
methyl prop-2-enoate;morpholine has a molecular weight of 173.21 g/mol, XLogP of -0.05, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl prop-2-enoate;morpholine is sourced from PubChem (CID 20981318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).