N'-hydroxy-2,3,5,6,7,7a-hexahydro-1H-indene-4-carboximidamide

C10H16N2O — CID 163839336

IUPACN'-hydroxy-2,3,5,6,7,7a-hexahydro-1H-indene-4-carboximidamide
SMILESNC(=NO)C1=C2CCCC2CCC1
InChIInChI=1S/C10H16N2O/c11-10(12-13)9-6-2-4-7-3-1-5-8(7)9/h7,13H,1-6H2,(H2,11,12)
InChIKeyOKNQHCARDREAOI-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.01
Rot. Bonds1

About N'-hydroxy-2,3,5,6,7,7a-hexahydro-1H-indene-4-carboximidamide

N'-hydroxy-2,3,5,6,7,7a-hexahydro-1H-indene-4-carboximidamide (PubChem CID 163839336) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is N'-hydroxy-2,3,5,6,7,7a-hexahydro-1H-indene-4-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2,3,5,6,7,7a-hexahydro-1H-indene-4-carboximidamide
PubChem CID163839336
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC NameN'-hydroxy-2,3,5,6,7,7a-hexahydro-1H-indene-4-carboximidamide
SMILESNC(=NO)C1=C2CCCC2CCC1
InChIInChI=1S/C10H16N2O/c11-10(12-13)9-6-2-4-7-3-1-5-8(7)9/h7,13H,1-6H2,(H2,11,12)
InChIKeyOKNQHCARDREAOI-UHFFFAOYSA-N
XLogP2.01
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.01
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-2,3,5,6,7,7a-hexahydro-1H-indene-4-carboximidamide?
The IUPAC name of N'-hydroxy-2,3,5,6,7,7a-hexahydro-1H-indene-4-carboximidamide (CID 163839336) is N'-hydroxy-2,3,5,6,7,7a-hexahydro-1H-indene-4-carboximidamide.
What is the SMILES notation for N'-hydroxy-2,3,5,6,7,7a-hexahydro-1H-indene-4-carboximidamide?
The canonical SMILES for N'-hydroxy-2,3,5,6,7,7a-hexahydro-1H-indene-4-carboximidamide is NC(=NO)C1=C2CCCC2CCC1.
What is the InChIKey of N'-hydroxy-2,3,5,6,7,7a-hexahydro-1H-indene-4-carboximidamide?
The InChIKey is OKNQHCARDREAOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c11-10(12-13)9-6-2-4-7-3-1-5-8(7)9/h7,13H,1-6H2,(H2,11,12).
What are the key properties of N'-hydroxy-2,3,5,6,7,7a-hexahydro-1H-indene-4-carboximidamide?
N'-hydroxy-2,3,5,6,7,7a-hexahydro-1H-indene-4-carboximidamide has a molecular weight of 180.25 g/mol, XLogP of 2.01, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2,3,5,6,7,7a-hexahydro-1H-indene-4-carboximidamide is sourced from PubChem (CID 163839336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).