but-1-ene-1,1,2,3-tetracarboxamide

C8H12N4O4 — CID 54015155

IUPACbut-1-ene-1,1,2,3-tetracarboxamide
SMILESCC(C(N)=O)C(C(N)=O)=C(C(N)=O)C(N)=O
InChIInChI=1S/C8H12N4O4/c1-2(5(9)13)3(6(10)14)4(7(11)15)8(12)16/h2H,1H3,(H2,9,13)(H2,10,14)(H2,11,15)(H2,12,16)
InChIKeyKVCLIGRATZKPHQ-UHFFFAOYSA-N
MW228.21 g/mol
LogP-3.14
Rot. Bonds5

About but-1-ene-1,1,2,3-tetracarboxamide

but-1-ene-1,1,2,3-tetracarboxamide (PubChem CID 54015155) has the molecular formula C8H12N4O4 and a molecular weight of 228.21 g/mol. Its IUPAC name is but-1-ene-1,1,2,3-tetracarboxamide.

Molecular Properties

Compound Namebut-1-ene-1,1,2,3-tetracarboxamide
PubChem CID54015155
Molecular FormulaC8H12N4O4
Molecular Weight228.21 g/mol
Exact Mass228.09
IUPAC Namebut-1-ene-1,1,2,3-tetracarboxamide
SMILESCC(C(N)=O)C(C(N)=O)=C(C(N)=O)C(N)=O
InChIInChI=1S/C8H12N4O4/c1-2(5(9)13)3(6(10)14)4(7(11)15)8(12)16/h2H,1H3,(H2,9,13)(H2,10,14)(H2,11,15)(H2,12,16)
InChIKeyKVCLIGRATZKPHQ-UHFFFAOYSA-N
XLogP-3.14
TPSA172.36 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.21
LogP ≤ 5-3.14
H-Bond Donors ≤ 54
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'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of but-1-ene-1,1,2,3-tetracarboxamide?
The IUPAC name of but-1-ene-1,1,2,3-tetracarboxamide (CID 54015155) is but-1-ene-1,1,2,3-tetracarboxamide.
What is the SMILES notation for but-1-ene-1,1,2,3-tetracarboxamide?
The canonical SMILES for but-1-ene-1,1,2,3-tetracarboxamide is CC(C(N)=O)C(C(N)=O)=C(C(N)=O)C(N)=O.
What is the InChIKey of but-1-ene-1,1,2,3-tetracarboxamide?
The InChIKey is KVCLIGRATZKPHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O4/c1-2(5(9)13)3(6(10)14)4(7(11)15)8(12)16/h2H,1H3,(H2,9,13)(H2,10,14)(H2,11,15)(H2,12,16).
What are the key properties of but-1-ene-1,1,2,3-tetracarboxamide?
but-1-ene-1,1,2,3-tetracarboxamide has a molecular weight of 228.21 g/mol, XLogP of -3.14, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for but-1-ene-1,1,2,3-tetracarboxamide is sourced from PubChem (CID 54015155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).