3-aminoprop-2-enoyl 2-methylprop-2-enoate

C7H9NO3 — CID 87182975

IUPAC3-aminoprop-2-enoyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(=O)C=CN
InChIInChI=1S/C7H9NO3/c1-5(2)7(10)11-6(9)3-4-8/h3-4H,1,8H2,2H3
InChIKeyKAJUWWZICMFABF-UHFFFAOYSA-N
MW155.15 g/mol
LogP0.10
Rot. Bonds2

About 3-aminoprop-2-enoyl 2-methylprop-2-enoate

3-aminoprop-2-enoyl 2-methylprop-2-enoate (PubChem CID 87182975) has the molecular formula C7H9NO3 and a molecular weight of 155.15 g/mol. Its IUPAC name is 3-aminoprop-2-enoyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name3-aminoprop-2-enoyl 2-methylprop-2-enoate
PubChem CID87182975
Molecular FormulaC7H9NO3
Molecular Weight155.15 g/mol
Exact Mass155.06
IUPAC Name3-aminoprop-2-enoyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(=O)C=CN
InChIInChI=1S/C7H9NO3/c1-5(2)7(10)11-6(9)3-4-8/h3-4H,1,8H2,2H3
InChIKeyKAJUWWZICMFABF-UHFFFAOYSA-N
XLogP0.10
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.15
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-aminoprop-2-enoyl 2-methylprop-2-enoate?
The IUPAC name of 3-aminoprop-2-enoyl 2-methylprop-2-enoate (CID 87182975) is 3-aminoprop-2-enoyl 2-methylprop-2-enoate.
What is the SMILES notation for 3-aminoprop-2-enoyl 2-methylprop-2-enoate?
The canonical SMILES for 3-aminoprop-2-enoyl 2-methylprop-2-enoate is C=C(C)C(=O)OC(=O)C=CN.
What is the InChIKey of 3-aminoprop-2-enoyl 2-methylprop-2-enoate?
The InChIKey is KAJUWWZICMFABF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO3/c1-5(2)7(10)11-6(9)3-4-8/h3-4H,1,8H2,2H3.
What are the key properties of 3-aminoprop-2-enoyl 2-methylprop-2-enoate?
3-aminoprop-2-enoyl 2-methylprop-2-enoate has a molecular weight of 155.15 g/mol, XLogP of 0.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminoprop-2-enoyl 2-methylprop-2-enoate is sourced from PubChem (CID 87182975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).