morpholine;prop-2-enoic acid

C7H13NO3 — CID 6452511

IUPACmorpholine;prop-2-enoic acid
SMILESC1COCCN1.C=CC(=O)O
InChIInChI=1S/C4H9NO.C3H4O2/c1-3-6-4-2-5-1;1-2-3(4)5/h5H,1-4H2;2H,1H2,(H,4,5)
InChIKeyQKQSRIKBWKJGHW-UHFFFAOYSA-N
MW159.19 g/mol
LogP-0.14
Rot. Bonds1

About morpholine;prop-2-enoic acid

morpholine;prop-2-enoic acid (PubChem CID 6452511) has the molecular formula C7H13NO3 and a molecular weight of 159.19 g/mol. Its IUPAC name is morpholine;prop-2-enoic acid.

Molecular Properties

Compound Namemorpholine;prop-2-enoic acid
PubChem CID6452511
Molecular FormulaC7H13NO3
Molecular Weight159.19 g/mol
Exact Mass159.09
IUPAC Namemorpholine;prop-2-enoic acid
SMILESC1COCCN1.C=CC(=O)O
InChIInChI=1S/C4H9NO.C3H4O2/c1-3-6-4-2-5-1;1-2-3(4)5/h5H,1-4H2;2H,1H2,(H,4,5)
InChIKeyQKQSRIKBWKJGHW-UHFFFAOYSA-N
XLogP-0.14
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-Hydroxyethyl)amino]ethyl acrylate
CID 57276811
Ethene;morpholine;prop-2-enoic acid
CID 44147018
Ethyl prop-2-enoate;morpholine
CID 18459417
Morpholine;propyl prop-2-enoate
CID 20189217
Methyl prop-2-enoate;morpholine
CID 20981318
(E)-but-2-enedioic acid;morpholine
CID 21529132
2-Ethylmorpholine;prop-2-enoic acid
CID 67020429
(Z)-but-2-enedioic acid;morpholine
CID 68140262
But-2-enedioic acid;morpholine
CID 68598612
2-Morpholin-4-ium-4-ylethyl prop-2-enoate
CID 150494618
Morpholine;sulfanyl prop-2-enoate
CID 160516568
4-Oxidomorpholin-4-ium;prop-2-enoic acid
CID 161177162

Frequently Asked Questions

What is the IUPAC name of morpholine;prop-2-enoic acid?
The IUPAC name of morpholine;prop-2-enoic acid (CID 6452511) is morpholine;prop-2-enoic acid.
What is the SMILES notation for morpholine;prop-2-enoic acid?
The canonical SMILES for morpholine;prop-2-enoic acid is C1COCCN1.C=CC(=O)O.
What is the InChIKey of morpholine;prop-2-enoic acid?
The InChIKey is QKQSRIKBWKJGHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO.C3H4O2/c1-3-6-4-2-5-1;1-2-3(4)5/h5H,1-4H2;2H,1H2,(H,4,5).
What are the key properties of morpholine;prop-2-enoic acid?
morpholine;prop-2-enoic acid has a molecular weight of 159.19 g/mol, XLogP of -0.14, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for morpholine;prop-2-enoic acid is sourced from PubChem (CID 6452511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).