but-2-ene;ethyl carbamate;prop-2-enoic acid

C10H19NO4 — CID 174836348

IUPACbut-2-ene;ethyl carbamate;prop-2-enoic acid
SMILESC=CC(=O)O.CC=CC.CCOC(N)=O
InChIInChI=1S/C4H8.C3H7NO2.C3H4O2/c1-3-4-2;1-2-6-3(4)5;1-2-3(4)5/h3-4H,1-2H3;2H2,1H3,(H2,4,5);2H,1H2,(H,4,5)
InChIKeyYZKUKGWPOWIHJW-UHFFFAOYSA-N
MW217.26 g/mol
LogP1.94
Rot. Bonds2

About but-2-ene;ethyl carbamate;prop-2-enoic acid

but-2-ene;ethyl carbamate;prop-2-enoic acid (PubChem CID 174836348) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is but-2-ene;ethyl carbamate;prop-2-enoic acid.

Molecular Properties

Compound Namebut-2-ene;ethyl carbamate;prop-2-enoic acid
PubChem CID174836348
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Namebut-2-ene;ethyl carbamate;prop-2-enoic acid
SMILESC=CC(=O)O.CC=CC.CCOC(N)=O
InChIInChI=1S/C4H8.C3H7NO2.C3H4O2/c1-3-4-2;1-2-6-3(4)5;1-2-3(4)5/h3-4H,1-2H3;2H2,1H3,(H2,4,5);2H,1H2,(H,4,5)
InChIKeyYZKUKGWPOWIHJW-UHFFFAOYSA-N
XLogP1.94
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of but-2-ene;ethyl carbamate;prop-2-enoic acid?
The IUPAC name of but-2-ene;ethyl carbamate;prop-2-enoic acid (CID 174836348) is but-2-ene;ethyl carbamate;prop-2-enoic acid.
What is the SMILES notation for but-2-ene;ethyl carbamate;prop-2-enoic acid?
The canonical SMILES for but-2-ene;ethyl carbamate;prop-2-enoic acid is C=CC(=O)O.CC=CC.CCOC(N)=O.
What is the InChIKey of but-2-ene;ethyl carbamate;prop-2-enoic acid?
The InChIKey is YZKUKGWPOWIHJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8.C3H7NO2.C3H4O2/c1-3-4-2;1-2-6-3(4)5;1-2-3(4)5/h3-4H,1-2H3;2H2,1H3,(H2,4,5);2H,1H2,(H,4,5).
What are the key properties of but-2-ene;ethyl carbamate;prop-2-enoic acid?
but-2-ene;ethyl carbamate;prop-2-enoic acid has a molecular weight of 217.26 g/mol, XLogP of 1.94, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for but-2-ene;ethyl carbamate;prop-2-enoic acid is sourced from PubChem (CID 174836348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).