prop-2-enyl 2-aminopenta-2,4-dienoate

C8H11NO2 — CID 173160636

IUPACprop-2-enyl 2-aminopenta-2,4-dienoate
SMILESC=CC=C(N)C(=O)OCC=C
InChIInChI=1S/C8H11NO2/c1-3-5-7(9)8(10)11-6-4-2/h3-5H,1-2,6,9H2
InChIKeyUIVHLBKCWDMXLR-UHFFFAOYSA-N
MW153.18 g/mol
LogP0.74
Rot. Bonds4

About prop-2-enyl 2-aminopenta-2,4-dienoate

prop-2-enyl 2-aminopenta-2,4-dienoate (PubChem CID 173160636) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is prop-2-enyl 2-aminopenta-2,4-dienoate.

Molecular Properties

Compound Nameprop-2-enyl 2-aminopenta-2,4-dienoate
PubChem CID173160636
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Nameprop-2-enyl 2-aminopenta-2,4-dienoate
SMILESC=CC=C(N)C(=O)OCC=C
InChIInChI=1S/C8H11NO2/c1-3-5-7(9)8(10)11-6-4-2/h3-5H,1-2,6,9H2
InChIKeyUIVHLBKCWDMXLR-UHFFFAOYSA-N
XLogP0.74
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2Z)-2-aminopenta-2,4-dienamide
CID 88558803
2-oxo-2-prop-2-enoxyacetate
CID 18533281
tetrakis(2-oxo-2-prop-2-enoxyacetate);titanium(4+)
CID 173131012
carbamic acid;prop-2-enyl carbamate
CID 87466810
prop-2-enyl 2-methylidenebutanoate
CID 12684713
bis(prop-2-enyl) carbonate;ethene
CID 87465968
prop-2-enyl (Z)-4-amino-5-hydroxy-2-oxopent-3-enoate
CID 87325804
2-[(3-oxo-3-prop-2-enoxy-2-prop-2-enoxycarbonylprop-1-enoxy)methylidene]propanedioic acid
CID 23616660
prop-2-enyl 2-(fluoromethyl)prop-2-enoate
CID 67041234
buta-1,3-diene;prop-2-enyl prop-2-enoate
CID 87253709
benzene;prop-2-enyl carbamate
CID 174893735
prop-2-enyl (E)-2-amino-3-methyl-4-sulfanylbut-2-enoate
CID 155748986

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 2-aminopenta-2,4-dienoate?
The IUPAC name of prop-2-enyl 2-aminopenta-2,4-dienoate (CID 173160636) is prop-2-enyl 2-aminopenta-2,4-dienoate.
What is the SMILES notation for prop-2-enyl 2-aminopenta-2,4-dienoate?
The canonical SMILES for prop-2-enyl 2-aminopenta-2,4-dienoate is C=CC=C(N)C(=O)OCC=C.
What is the InChIKey of prop-2-enyl 2-aminopenta-2,4-dienoate?
The InChIKey is UIVHLBKCWDMXLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c1-3-5-7(9)8(10)11-6-4-2/h3-5H,1-2,6,9H2.
What are the key properties of prop-2-enyl 2-aminopenta-2,4-dienoate?
prop-2-enyl 2-aminopenta-2,4-dienoate has a molecular weight of 153.18 g/mol, XLogP of 0.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 2-aminopenta-2,4-dienoate is sourced from PubChem (CID 173160636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).