N-(5-amino-2,3-dihydroinden-1-ylidene)hydroxylamine

C9H10N2O — CID 58963008

IUPACN-(5-amino-2,3-dihydroinden-1-ylidene)hydroxylamine
SMILESNc1ccc2c(c1)CCC2=NO
InChIInChI=1S/C9H10N2O/c10-7-2-3-8-6(5-7)1-4-9(8)11-12/h2-3,5,12H,1,4,10H2
InChIKeyKGKYSGLOASTUCA-UHFFFAOYSA-N
MW162.19 g/mol
LogP1.39
Rot. Bonds

About N-(5-amino-2,3-dihydroinden-1-ylidene)hydroxylamine

N-(5-amino-2,3-dihydroinden-1-ylidene)hydroxylamine (PubChem CID 58963008) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is N-(5-amino-2,3-dihydroinden-1-ylidene)hydroxylamine.

Molecular Properties

Compound NameN-(5-amino-2,3-dihydroinden-1-ylidene)hydroxylamine
PubChem CID58963008
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC NameN-(5-amino-2,3-dihydroinden-1-ylidene)hydroxylamine
SMILESNc1ccc2c(c1)CCC2=NO
InChIInChI=1S/C9H10N2O/c10-7-2-3-8-6(5-7)1-4-9(8)11-12/h2-3,5,12H,1,4,10H2
InChIKeyKGKYSGLOASTUCA-UHFFFAOYSA-N
XLogP1.39
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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-(5-amino-2,3-dihydroinden-1-ylidene)hydroxylamine?
The IUPAC name of N-(5-amino-2,3-dihydroinden-1-ylidene)hydroxylamine (CID 58963008) is N-(5-amino-2,3-dihydroinden-1-ylidene)hydroxylamine.
What is the SMILES notation for N-(5-amino-2,3-dihydroinden-1-ylidene)hydroxylamine?
The canonical SMILES for N-(5-amino-2,3-dihydroinden-1-ylidene)hydroxylamine is Nc1ccc2c(c1)CCC2=NO.
What is the InChIKey of N-(5-amino-2,3-dihydroinden-1-ylidene)hydroxylamine?
The InChIKey is KGKYSGLOASTUCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O/c10-7-2-3-8-6(5-7)1-4-9(8)11-12/h2-3,5,12H,1,4,10H2.
What are the key properties of N-(5-amino-2,3-dihydroinden-1-ylidene)hydroxylamine?
N-(5-amino-2,3-dihydroinden-1-ylidene)hydroxylamine has a molecular weight of 162.19 g/mol, XLogP of 1.39, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2,3-dihydroinden-1-ylidene)hydroxylamine is sourced from PubChem (CID 58963008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).