N'-hydroxy-5,5-dimethylcyclohepta-1,3,6-triene-1-carboximidamide

C10H14N2O — CID 123177460

IUPACN'-hydroxy-5,5-dimethylcyclohepta-1,3,6-triene-1-carboximidamide
SMILESCC1(C)C=CC=C(C(N)=NO)C=C1
InChIInChI=1S/C10H14N2O/c1-10(2)6-3-4-8(5-7-10)9(11)12-13/h3-7,13H,1-2H3,(H2,11,12)
InChIKeyVCIFXGRVTQZKPW-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.81
Rot. Bonds1

About N'-hydroxy-5,5-dimethylcyclohepta-1,3,6-triene-1-carboximidamide

N'-hydroxy-5,5-dimethylcyclohepta-1,3,6-triene-1-carboximidamide (PubChem CID 123177460) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is N'-hydroxy-5,5-dimethylcyclohepta-1,3,6-triene-1-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-5,5-dimethylcyclohepta-1,3,6-triene-1-carboximidamide
PubChem CID123177460
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC NameN'-hydroxy-5,5-dimethylcyclohepta-1,3,6-triene-1-carboximidamide
SMILESCC1(C)C=CC=C(C(N)=NO)C=C1
InChIInChI=1S/C10H14N2O/c1-10(2)6-3-4-8(5-7-10)9(11)12-13/h3-7,13H,1-2H3,(H2,11,12)
InChIKeyVCIFXGRVTQZKPW-UHFFFAOYSA-N
XLogP1.81
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', '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-5,5-dimethylcyclohepta-1,3,6-triene-1-carboximidamide?
The IUPAC name of N'-hydroxy-5,5-dimethylcyclohepta-1,3,6-triene-1-carboximidamide (CID 123177460) is N'-hydroxy-5,5-dimethylcyclohepta-1,3,6-triene-1-carboximidamide.
What is the SMILES notation for N'-hydroxy-5,5-dimethylcyclohepta-1,3,6-triene-1-carboximidamide?
The canonical SMILES for N'-hydroxy-5,5-dimethylcyclohepta-1,3,6-triene-1-carboximidamide is CC1(C)C=CC=C(C(N)=NO)C=C1.
What is the InChIKey of N'-hydroxy-5,5-dimethylcyclohepta-1,3,6-triene-1-carboximidamide?
The InChIKey is VCIFXGRVTQZKPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-10(2)6-3-4-8(5-7-10)9(11)12-13/h3-7,13H,1-2H3,(H2,11,12).
What are the key properties of N'-hydroxy-5,5-dimethylcyclohepta-1,3,6-triene-1-carboximidamide?
N'-hydroxy-5,5-dimethylcyclohepta-1,3,6-triene-1-carboximidamide has a molecular weight of 178.23 g/mol, XLogP of 1.81, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-5,5-dimethylcyclohepta-1,3,6-triene-1-carboximidamide is sourced from PubChem (CID 123177460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).