methanetetracarboxamide

C5H8N4O4 — CID 87547104

IUPACmethanetetracarboxamide
SMILESNC(=O)C(C(N)=O)(C(N)=O)C(N)=O
InChIInChI=1S/C5H8N4O4/c6-1(10)5(2(7)11,3(8)12)4(9)13/h(H2,6,10)(H2,7,11)(H2,8,12)(H2,9,13)
InChIKeyITTCEADIDBNWOI-UHFFFAOYSA-N
MW188.14 g/mol
LogP-4.09
Rot. Bonds4

About methanetetracarboxamide

methanetetracarboxamide (PubChem CID 87547104) has the molecular formula C5H8N4O4 and a molecular weight of 188.14 g/mol. Its IUPAC name is methanetetracarboxamide.

Molecular Properties

Compound Namemethanetetracarboxamide
PubChem CID87547104
Molecular FormulaC5H8N4O4
Molecular Weight188.14 g/mol
Exact Mass188.05
IUPAC Namemethanetetracarboxamide
SMILESNC(=O)C(C(N)=O)(C(N)=O)C(N)=O
InChIInChI=1S/C5H8N4O4/c6-1(10)5(2(7)11,3(8)12)4(9)13/h(H2,6,10)(H2,7,11)(H2,8,12)(H2,9,13)
InChIKeyITTCEADIDBNWOI-UHFFFAOYSA-N
XLogP-4.09
TPSA172.36 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.14
LogP ≤ 5-4.09
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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Related Compounds

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CID 88605054
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niobium;urea
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lithium urea
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CID 159010976
azane;urea
CID 158949980

Frequently Asked Questions

What is the IUPAC name of methanetetracarboxamide?
The IUPAC name of methanetetracarboxamide (CID 87547104) is methanetetracarboxamide.
What is the SMILES notation for methanetetracarboxamide?
The canonical SMILES for methanetetracarboxamide is NC(=O)C(C(N)=O)(C(N)=O)C(N)=O.
What is the InChIKey of methanetetracarboxamide?
The InChIKey is ITTCEADIDBNWOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O4/c6-1(10)5(2(7)11,3(8)12)4(9)13/h(H2,6,10)(H2,7,11)(H2,8,12)(H2,9,13).
What are the key properties of methanetetracarboxamide?
methanetetracarboxamide has a molecular weight of 188.14 g/mol, XLogP of -4.09, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methanetetracarboxamide is sourced from PubChem (CID 87547104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).