hydroxylamine;isoquinoline

C9H10N2O — CID 158472415

IUPAChydroxylamine;isoquinoline
SMILESNO.c1ccc2cnccc2c1
InChIInChI=1S/C9H7N.H3NO/c1-2-4-9-7-10-6-5-8(9)3-1;1-2/h1-7H;2H,1H2
InChIKeyHGMZNNWOKVCZRI-UHFFFAOYSA-N
MW162.19 g/mol
LogP1.57
Rot. Bonds

About hydroxylamine;isoquinoline

hydroxylamine;isoquinoline (PubChem CID 158472415) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is hydroxylamine;isoquinoline.

Molecular Properties

Compound Namehydroxylamine;isoquinoline
PubChem CID158472415
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC Namehydroxylamine;isoquinoline
SMILESNO.c1ccc2cnccc2c1
InChIInChI=1S/C9H7N.H3NO/c1-2-4-9-7-10-6-5-8(9)3-1;1-2/h1-7H;2H,1H2
InChIKeyHGMZNNWOKVCZRI-UHFFFAOYSA-N
XLogP1.57
TPSA59.14 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 ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of hydroxylamine;isoquinoline?
The IUPAC name of hydroxylamine;isoquinoline (CID 158472415) is hydroxylamine;isoquinoline.
What is the SMILES notation for hydroxylamine;isoquinoline?
The canonical SMILES for hydroxylamine;isoquinoline is NO.c1ccc2cnccc2c1.
What is the InChIKey of hydroxylamine;isoquinoline?
The InChIKey is HGMZNNWOKVCZRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N.H3NO/c1-2-4-9-7-10-6-5-8(9)3-1;1-2/h1-7H;2H,1H2.
What are the key properties of hydroxylamine;isoquinoline?
hydroxylamine;isoquinoline has a molecular weight of 162.19 g/mol, XLogP of 1.57, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxylamine;isoquinoline is sourced from PubChem (CID 158472415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).