cyclohexane-1,1,2-tricarboxamide

C9H15N3O3 — CID 22346135

IUPACcyclohexane-1,1,2-tricarboxamide
SMILESNC(=O)C1CCCCC1(C(N)=O)C(N)=O
InChIInChI=1S/C9H15N3O3/c10-6(13)5-3-1-2-4-9(5,7(11)14)8(12)15/h5H,1-4H2,(H2,10,13)(H2,11,14)(H2,12,15)
InChIKeyKKIVBXBGEQVMSO-UHFFFAOYSA-N
MW213.24 g/mol
LogP-1.38
Rot. Bonds3

About cyclohexane-1,1,2-tricarboxamide

cyclohexane-1,1,2-tricarboxamide (PubChem CID 22346135) has the molecular formula C9H15N3O3 and a molecular weight of 213.24 g/mol. Its IUPAC name is cyclohexane-1,1,2-tricarboxamide.

Molecular Properties

Compound Namecyclohexane-1,1,2-tricarboxamide
PubChem CID22346135
Molecular FormulaC9H15N3O3
Molecular Weight213.24 g/mol
Exact Mass213.11
IUPAC Namecyclohexane-1,1,2-tricarboxamide
SMILESNC(=O)C1CCCCC1(C(N)=O)C(N)=O
InChIInChI=1S/C9H15N3O3/c10-6(13)5-3-1-2-4-9(5,7(11)14)8(12)15/h5H,1-4H2,(H2,10,13)(H2,11,14)(H2,12,15)
InChIKeyKKIVBXBGEQVMSO-UHFFFAOYSA-N
XLogP-1.38
TPSA129.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 5-1.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 cyclohexane-1,1,2-tricarboxamide?
The IUPAC name of cyclohexane-1,1,2-tricarboxamide (CID 22346135) is cyclohexane-1,1,2-tricarboxamide.
What is the SMILES notation for cyclohexane-1,1,2-tricarboxamide?
The canonical SMILES for cyclohexane-1,1,2-tricarboxamide is NC(=O)C1CCCCC1(C(N)=O)C(N)=O.
What is the InChIKey of cyclohexane-1,1,2-tricarboxamide?
The InChIKey is KKIVBXBGEQVMSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3/c10-6(13)5-3-1-2-4-9(5,7(11)14)8(12)15/h5H,1-4H2,(H2,10,13)(H2,11,14)(H2,12,15).
What are the key properties of cyclohexane-1,1,2-tricarboxamide?
cyclohexane-1,1,2-tricarboxamide has a molecular weight of 213.24 g/mol, XLogP of -1.38, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexane-1,1,2-tricarboxamide is sourced from PubChem (CID 22346135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).