2-oxo-2-(1-tetracyclo[5.2.1.03,8.05,8]decanyl)acetamide

C12H15NO2 — CID 91085405

IUPAC2-oxo-2-(1-tetracyclo[5.2.1.03,8.05,8]decanyl)acetamide
SMILESNC(=O)C(=O)C12CC3CC4CC(C1)C43C2
InChIInChI=1S/C12H15NO2/c13-10(15)9(14)11-3-7-1-6-2-8(4-11)12(6,7)5-11/h6-8H,1-5H2,(H2,13,15)
InChIKeyBBPQYVUDCSLFAK-UHFFFAOYSA-N
MW205.26 g/mol
LogP0.87
Rot. Bonds2

About 2-oxo-2-(1-tetracyclo[5.2.1.03,8.05,8]decanyl)acetamide

2-oxo-2-(1-tetracyclo[5.2.1.03,8.05,8]decanyl)acetamide (PubChem CID 91085405) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 2-oxo-2-(1-tetracyclo[5.2.1.03,8.05,8]decanyl)acetamide.

Molecular Properties

Compound Name2-oxo-2-(1-tetracyclo[5.2.1.03,8.05,8]decanyl)acetamide
PubChem CID91085405
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name2-oxo-2-(1-tetracyclo[5.2.1.03,8.05,8]decanyl)acetamide
SMILESNC(=O)C(=O)C12CC3CC4CC(C1)C43C2
InChIInChI=1S/C12H15NO2/c13-10(15)9(14)11-3-7-1-6-2-8(4-11)12(6,7)5-11/h6-8H,1-5H2,(H2,13,15)
InChIKeyBBPQYVUDCSLFAK-UHFFFAOYSA-N
XLogP0.87
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-2-(1-tetracyclo[5.2.1.03,8.05,8]decanyl)acetamide?
The IUPAC name of 2-oxo-2-(1-tetracyclo[5.2.1.03,8.05,8]decanyl)acetamide (CID 91085405) is 2-oxo-2-(1-tetracyclo[5.2.1.03,8.05,8]decanyl)acetamide.
What is the SMILES notation for 2-oxo-2-(1-tetracyclo[5.2.1.03,8.05,8]decanyl)acetamide?
The canonical SMILES for 2-oxo-2-(1-tetracyclo[5.2.1.03,8.05,8]decanyl)acetamide is NC(=O)C(=O)C12CC3CC4CC(C1)C43C2.
What is the InChIKey of 2-oxo-2-(1-tetracyclo[5.2.1.03,8.05,8]decanyl)acetamide?
The InChIKey is BBPQYVUDCSLFAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c13-10(15)9(14)11-3-7-1-6-2-8(4-11)12(6,7)5-11/h6-8H,1-5H2,(H2,13,15).
What are the key properties of 2-oxo-2-(1-tetracyclo[5.2.1.03,8.05,8]decanyl)acetamide?
2-oxo-2-(1-tetracyclo[5.2.1.03,8.05,8]decanyl)acetamide has a molecular weight of 205.26 g/mol, XLogP of 0.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-2-(1-tetracyclo[5.2.1.03,8.05,8]decanyl)acetamide is sourced from PubChem (CID 91085405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).