N-hydroxy-3,5-dimethyltetracyclo[5.3.1.03,9.05,9]undecane-1-carboxamide

C14H21NO2 — CID 126602772

IUPACN-hydroxy-3,5-dimethyltetracyclo[5.3.1.03,9.05,9]undecane-1-carboxamide
SMILESCC12CC3CC4(C(=O)NO)CC(C)(C1)C2(C3)C4
InChIInChI=1S/C14H21NO2/c1-11-3-9-4-13(10(16)15-17)7-12(2,6-11)14(11,5-9)8-13/h9,17H,3-8H2,1-2H3,(H,15,16)
InChIKeyDGKNKKPMXNLMBN-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.49
Rot. Bonds1

About N-hydroxy-3,5-dimethyltetracyclo[5.3.1.03,9.05,9]undecane-1-carboxamide

N-hydroxy-3,5-dimethyltetracyclo[5.3.1.03,9.05,9]undecane-1-carboxamide (PubChem CID 126602772) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is N-hydroxy-3,5-dimethyltetracyclo[5.3.1.03,9.05,9]undecane-1-carboxamide.

Molecular Properties

Compound NameN-hydroxy-3,5-dimethyltetracyclo[5.3.1.03,9.05,9]undecane-1-carboxamide
PubChem CID126602772
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC NameN-hydroxy-3,5-dimethyltetracyclo[5.3.1.03,9.05,9]undecane-1-carboxamide
SMILESCC12CC3CC4(C(=O)NO)CC(C)(C1)C2(C3)C4
InChIInChI=1S/C14H21NO2/c1-11-3-9-4-13(10(16)15-17)7-12(2,6-11)14(11,5-9)8-13/h9,17H,3-8H2,1-2H3,(H,15,16)
InChIKeyDGKNKKPMXNLMBN-UHFFFAOYSA-N
XLogP2.49
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-3,5-dimethyltetracyclo[5.3.1.03,9.05,9]undecane-1-carboxamide?
The IUPAC name of N-hydroxy-3,5-dimethyltetracyclo[5.3.1.03,9.05,9]undecane-1-carboxamide (CID 126602772) is N-hydroxy-3,5-dimethyltetracyclo[5.3.1.03,9.05,9]undecane-1-carboxamide.
What is the SMILES notation for N-hydroxy-3,5-dimethyltetracyclo[5.3.1.03,9.05,9]undecane-1-carboxamide?
The canonical SMILES for N-hydroxy-3,5-dimethyltetracyclo[5.3.1.03,9.05,9]undecane-1-carboxamide is CC12CC3CC4(C(=O)NO)CC(C)(C1)C2(C3)C4.
What is the InChIKey of N-hydroxy-3,5-dimethyltetracyclo[5.3.1.03,9.05,9]undecane-1-carboxamide?
The InChIKey is DGKNKKPMXNLMBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-11-3-9-4-13(10(16)15-17)7-12(2,6-11)14(11,5-9)8-13/h9,17H,3-8H2,1-2H3,(H,15,16).
What are the key properties of N-hydroxy-3,5-dimethyltetracyclo[5.3.1.03,9.05,9]undecane-1-carboxamide?
N-hydroxy-3,5-dimethyltetracyclo[5.3.1.03,9.05,9]undecane-1-carboxamide has a molecular weight of 235.33 g/mol, XLogP of 2.49, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3,5-dimethyltetracyclo[5.3.1.03,9.05,9]undecane-1-carboxamide is sourced from PubChem (CID 126602772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).