N'-hydroxycyclohex-3-ene-1-carboximidamide

C7H12N2O — CID 55289145

IUPACN'-hydroxycyclohex-3-ene-1-carboximidamide
SMILESN/C(=N/O)C1CC=CCC1
InChIInChI=1S/C7H12N2O/c8-7(9-10)6-4-2-1-3-5-6/h1-2,6,10H,3-5H2,(H2,8,9)
InChIKeyZIRHKIBKBUKTKR-UHFFFAOYSA-N
MW140.19 g/mol
LogP1.09
Rot. Bonds1

About N'-hydroxycyclohex-3-ene-1-carboximidamide

N'-hydroxycyclohex-3-ene-1-carboximidamide (PubChem CID 55289145) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is N'-hydroxycyclohex-3-ene-1-carboximidamide.

Molecular Properties

Compound NameN'-hydroxycyclohex-3-ene-1-carboximidamide
PubChem CID55289145
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC NameN'-hydroxycyclohex-3-ene-1-carboximidamide
SMILESN/C(=N/O)C1CC=CCC1
InChIInChI=1S/C7H12N2O/c8-7(9-10)6-4-2-1-3-5-6/h1-2,6,10H,3-5H2,(H2,8,9)
InChIKeyZIRHKIBKBUKTKR-UHFFFAOYSA-N
XLogP1.09
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 51.09
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': 'isolated_alkene', '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'-hydroxycyclohex-3-ene-1-carboximidamide?
The IUPAC name of N'-hydroxycyclohex-3-ene-1-carboximidamide (CID 55289145) is N'-hydroxycyclohex-3-ene-1-carboximidamide.
What is the SMILES notation for N'-hydroxycyclohex-3-ene-1-carboximidamide?
The canonical SMILES for N'-hydroxycyclohex-3-ene-1-carboximidamide is N/C(=N/O)C1CC=CCC1.
What is the InChIKey of N'-hydroxycyclohex-3-ene-1-carboximidamide?
The InChIKey is ZIRHKIBKBUKTKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c8-7(9-10)6-4-2-1-3-5-6/h1-2,6,10H,3-5H2,(H2,8,9).
What are the key properties of N'-hydroxycyclohex-3-ene-1-carboximidamide?
N'-hydroxycyclohex-3-ene-1-carboximidamide has a molecular weight of 140.19 g/mol, XLogP of 1.09, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxycyclohex-3-ene-1-carboximidamide is sourced from PubChem (CID 55289145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).