N-hydroxy-N-methyltricyclo[4.3.1.13,8]undecane-3-carboxamide

C13H21NO2 — CID 138965079

IUPACN-hydroxy-N-methyltricyclo[4.3.1.13,8]undecane-3-carboxamide
SMILESCN(O)C(=O)C12CCC3CC(CC(C3)C1)C2
InChIInChI=1S/C13H21NO2/c1-14(16)12(15)13-3-2-9-4-10(7-13)6-11(5-9)8-13/h9-11,16H,2-8H2,1H3
InChIKeyVROGLFNDKZMFJV-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.44
Rot. Bonds1

About N-hydroxy-N-methyltricyclo[4.3.1.13,8]undecane-3-carboxamide

N-hydroxy-N-methyltricyclo[4.3.1.13,8]undecane-3-carboxamide (PubChem CID 138965079) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is N-hydroxy-N-methyltricyclo[4.3.1.13,8]undecane-3-carboxamide.

Molecular Properties

Compound NameN-hydroxy-N-methyltricyclo[4.3.1.13,8]undecane-3-carboxamide
PubChem CID138965079
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC NameN-hydroxy-N-methyltricyclo[4.3.1.13,8]undecane-3-carboxamide
SMILESCN(O)C(=O)C12CCC3CC(CC(C3)C1)C2
InChIInChI=1S/C13H21NO2/c1-14(16)12(15)13-3-2-9-4-10(7-13)6-11(5-9)8-13/h9-11,16H,2-8H2,1H3
InChIKeyVROGLFNDKZMFJV-UHFFFAOYSA-N
XLogP2.44
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.44
H-Bond Donors ≤ 51
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-N-methyltricyclo[4.3.1.13,8]undecane-3-carboxamide?
The IUPAC name of N-hydroxy-N-methyltricyclo[4.3.1.13,8]undecane-3-carboxamide (CID 138965079) is N-hydroxy-N-methyltricyclo[4.3.1.13,8]undecane-3-carboxamide.
What is the SMILES notation for N-hydroxy-N-methyltricyclo[4.3.1.13,8]undecane-3-carboxamide?
The canonical SMILES for N-hydroxy-N-methyltricyclo[4.3.1.13,8]undecane-3-carboxamide is CN(O)C(=O)C12CCC3CC(CC(C3)C1)C2.
What is the InChIKey of N-hydroxy-N-methyltricyclo[4.3.1.13,8]undecane-3-carboxamide?
The InChIKey is VROGLFNDKZMFJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-14(16)12(15)13-3-2-9-4-10(7-13)6-11(5-9)8-13/h9-11,16H,2-8H2,1H3.
What are the key properties of N-hydroxy-N-methyltricyclo[4.3.1.13,8]undecane-3-carboxamide?
N-hydroxy-N-methyltricyclo[4.3.1.13,8]undecane-3-carboxamide has a molecular weight of 223.32 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N-methyltricyclo[4.3.1.13,8]undecane-3-carboxamide is sourced from PubChem (CID 138965079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).