N-isocyano-N-(2-phenylethyl)hydroxylamine

C9H10N2O — CID 172700292

IUPACN-isocyano-N-(2-phenylethyl)hydroxylamine
SMILES[C-]#[N+]N(O)CCc1ccccc1
InChIInChI=1S/C9H10N2O/c1-10-11(12)8-7-9-5-3-2-4-6-9/h2-6,12H,7-8H2
InChIKeyCWHVTHDQBPCHHR-UHFFFAOYSA-N
MW162.19 g/mol
LogP1.75
Rot. Bonds3

About N-isocyano-N-(2-phenylethyl)hydroxylamine

N-isocyano-N-(2-phenylethyl)hydroxylamine (PubChem CID 172700292) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is N-isocyano-N-(2-phenylethyl)hydroxylamine.

Molecular Properties

Compound NameN-isocyano-N-(2-phenylethyl)hydroxylamine
PubChem CID172700292
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC NameN-isocyano-N-(2-phenylethyl)hydroxylamine
SMILES[C-]#[N+]N(O)CCc1ccccc1
InChIInChI=1S/C9H10N2O/c1-10-11(12)8-7-9-5-3-2-4-6-9/h2-6,12H,7-8H2
InChIKeyCWHVTHDQBPCHHR-UHFFFAOYSA-N
XLogP1.75
TPSA27.83 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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N,N-diamino-2-phenylethanamine
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1-hydroxy-1-(2-phenylethyl)urea
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N,N-bis(methylamino)-2-phenylethanamine
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CID 18982764
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Frequently Asked Questions

What is the IUPAC name of N-isocyano-N-(2-phenylethyl)hydroxylamine?
The IUPAC name of N-isocyano-N-(2-phenylethyl)hydroxylamine (CID 172700292) is N-isocyano-N-(2-phenylethyl)hydroxylamine.
What is the SMILES notation for N-isocyano-N-(2-phenylethyl)hydroxylamine?
The canonical SMILES for N-isocyano-N-(2-phenylethyl)hydroxylamine is [C-]#[N+]N(O)CCc1ccccc1.
What is the InChIKey of N-isocyano-N-(2-phenylethyl)hydroxylamine?
The InChIKey is CWHVTHDQBPCHHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O/c1-10-11(12)8-7-9-5-3-2-4-6-9/h2-6,12H,7-8H2.
What are the key properties of N-isocyano-N-(2-phenylethyl)hydroxylamine?
N-isocyano-N-(2-phenylethyl)hydroxylamine has a molecular weight of 162.19 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-isocyano-N-(2-phenylethyl)hydroxylamine is sourced from PubChem (CID 172700292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).