N'-hydroxy-1,2,3,5,6,7-hexahydro-s-indacene-2-carboximidamide;hydrochloride

C13H17ClN2O — CID 173404793

IUPACN'-hydroxy-1,2,3,5,6,7-hexahydro-s-indacene-2-carboximidamide;hydrochloride
SMILESCl.NC(=NO)C1Cc2cc3c(cc2C1)CCC3
InChIInChI=1S/C13H16N2O.ClH/c14-13(15-16)12-6-10-4-8-2-1-3-9(8)5-11(10)7-12;/h4-5,12,16H,1-3,6-7H2,(H2,14,15);1H
InChIKeyGQBWPQXPRHGTHK-UHFFFAOYSA-N
MW252.74 g/mol
LogP2.06
Rot. Bonds1

About N'-hydroxy-1,2,3,5,6,7-hexahydro-s-indacene-2-carboximidamide;hydrochloride

N'-hydroxy-1,2,3,5,6,7-hexahydro-s-indacene-2-carboximidamide;hydrochloride (PubChem CID 173404793) has the molecular formula C13H17ClN2O and a molecular weight of 252.74 g/mol. Its IUPAC name is N'-hydroxy-1,2,3,5,6,7-hexahydro-s-indacene-2-carboximidamide;hydrochloride.

Molecular Properties

Compound NameN'-hydroxy-1,2,3,5,6,7-hexahydro-s-indacene-2-carboximidamide;hydrochloride
PubChem CID173404793
Molecular FormulaC13H17ClN2O
Molecular Weight252.74 g/mol
Exact Mass252.10
IUPAC NameN'-hydroxy-1,2,3,5,6,7-hexahydro-s-indacene-2-carboximidamide;hydrochloride
SMILESCl.NC(=NO)C1Cc2cc3c(cc2C1)CCC3
InChIInChI=1S/C13H16N2O.ClH/c14-13(15-16)12-6-10-4-8-2-1-3-9(8)5-11(10)7-12;/h4-5,12,16H,1-3,6-7H2,(H2,14,15);1H
InChIKeyGQBWPQXPRHGTHK-UHFFFAOYSA-N
XLogP2.06
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.74
LogP ≤ 52.06
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-1,2,3,5,6,7-hexahydro-s-indacene-2-carboximidamide;hydrochloride?
The IUPAC name of N'-hydroxy-1,2,3,5,6,7-hexahydro-s-indacene-2-carboximidamide;hydrochloride (CID 173404793) is N'-hydroxy-1,2,3,5,6,7-hexahydro-s-indacene-2-carboximidamide;hydrochloride.
What is the SMILES notation for N'-hydroxy-1,2,3,5,6,7-hexahydro-s-indacene-2-carboximidamide;hydrochloride?
The canonical SMILES for N'-hydroxy-1,2,3,5,6,7-hexahydro-s-indacene-2-carboximidamide;hydrochloride is Cl.NC(=NO)C1Cc2cc3c(cc2C1)CCC3.
What is the InChIKey of N'-hydroxy-1,2,3,5,6,7-hexahydro-s-indacene-2-carboximidamide;hydrochloride?
The InChIKey is GQBWPQXPRHGTHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O.ClH/c14-13(15-16)12-6-10-4-8-2-1-3-9(8)5-11(10)7-12;/h4-5,12,16H,1-3,6-7H2,(H2,14,15);1H.
What are the key properties of N'-hydroxy-1,2,3,5,6,7-hexahydro-s-indacene-2-carboximidamide;hydrochloride?
N'-hydroxy-1,2,3,5,6,7-hexahydro-s-indacene-2-carboximidamide;hydrochloride has a molecular weight of 252.74 g/mol, XLogP of 2.06, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-1,2,3,5,6,7-hexahydro-s-indacene-2-carboximidamide;hydrochloride is sourced from PubChem (CID 173404793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).