N'-hydroxycyclohepta-1,3,6-triene-1-carboximidamide

C8H10N2O — CID 123210321

IUPACN'-hydroxycyclohepta-1,3,6-triene-1-carboximidamide
SMILESNC(=NO)C1=CC=CCC=C1
InChIInChI=1S/C8H10N2O/c9-8(10-11)7-5-3-1-2-4-6-7/h1,3-6,11H,2H2,(H2,9,10)
InChIKeyMSWODFCVDTYQLJ-UHFFFAOYSA-N
MW150.18 g/mol
LogP1.18
Rot. Bonds1

About N'-hydroxycyclohepta-1,3,6-triene-1-carboximidamide

N'-hydroxycyclohepta-1,3,6-triene-1-carboximidamide (PubChem CID 123210321) has the molecular formula C8H10N2O and a molecular weight of 150.18 g/mol. Its IUPAC name is N'-hydroxycyclohepta-1,3,6-triene-1-carboximidamide.

Molecular Properties

Compound NameN'-hydroxycyclohepta-1,3,6-triene-1-carboximidamide
PubChem CID123210321
Molecular FormulaC8H10N2O
Molecular Weight150.18 g/mol
Exact Mass150.08
IUPAC NameN'-hydroxycyclohepta-1,3,6-triene-1-carboximidamide
SMILESNC(=NO)C1=CC=CCC=C1
InChIInChI=1S/C8H10N2O/c9-8(10-11)7-5-3-1-2-4-6-7/h1,3-6,11H,2H2,(H2,9,10)
InChIKeyMSWODFCVDTYQLJ-UHFFFAOYSA-N
XLogP1.18
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 51.18
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'-hydroxycyclohepta-1,3,6-triene-1-carboximidamide?
The IUPAC name of N'-hydroxycyclohepta-1,3,6-triene-1-carboximidamide (CID 123210321) is N'-hydroxycyclohepta-1,3,6-triene-1-carboximidamide.
What is the SMILES notation for N'-hydroxycyclohepta-1,3,6-triene-1-carboximidamide?
The canonical SMILES for N'-hydroxycyclohepta-1,3,6-triene-1-carboximidamide is NC(=NO)C1=CC=CCC=C1.
What is the InChIKey of N'-hydroxycyclohepta-1,3,6-triene-1-carboximidamide?
The InChIKey is MSWODFCVDTYQLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O/c9-8(10-11)7-5-3-1-2-4-6-7/h1,3-6,11H,2H2,(H2,9,10).
What are the key properties of N'-hydroxycyclohepta-1,3,6-triene-1-carboximidamide?
N'-hydroxycyclohepta-1,3,6-triene-1-carboximidamide has a molecular weight of 150.18 g/mol, XLogP of 1.18, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxycyclohepta-1,3,6-triene-1-carboximidamide is sourced from PubChem (CID 123210321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).