propane-1,1,1,2-tetracarboxamide

C7H12N4O4 — CID 87492893

IUPACpropane-1,1,1,2-tetracarboxamide
SMILESCC(C(N)=O)C(C(N)=O)(C(N)=O)C(N)=O
InChIInChI=1S/C7H12N4O4/c1-2(3(8)12)7(4(9)13,5(10)14)6(11)15/h2H,1H3,(H2,8,12)(H2,9,13)(H2,10,14)(H2,11,15)
InChIKeyALUMDSNLMRPTCN-UHFFFAOYSA-N
MW216.20 g/mol
LogP-3.45
Rot. Bonds5

About propane-1,1,1,2-tetracarboxamide

propane-1,1,1,2-tetracarboxamide (PubChem CID 87492893) has the molecular formula C7H12N4O4 and a molecular weight of 216.20 g/mol. Its IUPAC name is propane-1,1,1,2-tetracarboxamide.

Molecular Properties

Compound Namepropane-1,1,1,2-tetracarboxamide
PubChem CID87492893
Molecular FormulaC7H12N4O4
Molecular Weight216.20 g/mol
Exact Mass216.09
IUPAC Namepropane-1,1,1,2-tetracarboxamide
SMILESCC(C(N)=O)C(C(N)=O)(C(N)=O)C(N)=O
InChIInChI=1S/C7H12N4O4/c1-2(3(8)12)7(4(9)13,5(10)14)6(11)15/h2H,1H3,(H2,8,12)(H2,9,13)(H2,10,14)(H2,11,15)
InChIKeyALUMDSNLMRPTCN-UHFFFAOYSA-N
XLogP-3.45
TPSA172.36 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.20
LogP ≤ 5-3.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of propane-1,1,1,2-tetracarboxamide?
The IUPAC name of propane-1,1,1,2-tetracarboxamide (CID 87492893) is propane-1,1,1,2-tetracarboxamide.
What is the SMILES notation for propane-1,1,1,2-tetracarboxamide?
The canonical SMILES for propane-1,1,1,2-tetracarboxamide is CC(C(N)=O)C(C(N)=O)(C(N)=O)C(N)=O.
What is the InChIKey of propane-1,1,1,2-tetracarboxamide?
The InChIKey is ALUMDSNLMRPTCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O4/c1-2(3(8)12)7(4(9)13,5(10)14)6(11)15/h2H,1H3,(H2,8,12)(H2,9,13)(H2,10,14)(H2,11,15).
What are the key properties of propane-1,1,1,2-tetracarboxamide?
propane-1,1,1,2-tetracarboxamide has a molecular weight of 216.20 g/mol, XLogP of -3.45, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propane-1,1,1,2-tetracarboxamide is sourced from PubChem (CID 87492893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).