N-tert-butyl-N-(pyrrol-2-ylidenemethyl)hydroxylamine

C9H14N2O — CID 73411257

IUPACN-tert-butyl-N-(pyrrol-2-ylidenemethyl)hydroxylamine
SMILESCC(C)(C)N(O)C=C1C=CC=N1
InChIInChI=1S/C9H14N2O/c1-9(2,3)11(12)7-8-5-4-6-10-8/h4-7,12H,1-3H3
InChIKeyGUCDVWGGKASXAK-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.96
Rot. Bonds1

About N-tert-butyl-N-(pyrrol-2-ylidenemethyl)hydroxylamine

N-tert-butyl-N-(pyrrol-2-ylidenemethyl)hydroxylamine (PubChem CID 73411257) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is N-tert-butyl-N-(pyrrol-2-ylidenemethyl)hydroxylamine.

Molecular Properties

Compound NameN-tert-butyl-N-(pyrrol-2-ylidenemethyl)hydroxylamine
PubChem CID73411257
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC NameN-tert-butyl-N-(pyrrol-2-ylidenemethyl)hydroxylamine
SMILESCC(C)(C)N(O)C=C1C=CC=N1
InChIInChI=1S/C9H14N2O/c1-9(2,3)11(12)7-8-5-4-6-10-8/h4-7,12H,1-3H3
InChIKeyGUCDVWGGKASXAK-UHFFFAOYSA-N
XLogP1.96
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.96
H-Bond Donors ≤ 51
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 N-tert-butyl-N-(pyrrol-2-ylidenemethyl)hydroxylamine?
The IUPAC name of N-tert-butyl-N-(pyrrol-2-ylidenemethyl)hydroxylamine (CID 73411257) is N-tert-butyl-N-(pyrrol-2-ylidenemethyl)hydroxylamine.
What is the SMILES notation for N-tert-butyl-N-(pyrrol-2-ylidenemethyl)hydroxylamine?
The canonical SMILES for N-tert-butyl-N-(pyrrol-2-ylidenemethyl)hydroxylamine is CC(C)(C)N(O)C=C1C=CC=N1.
What is the InChIKey of N-tert-butyl-N-(pyrrol-2-ylidenemethyl)hydroxylamine?
The InChIKey is GUCDVWGGKASXAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-9(2,3)11(12)7-8-5-4-6-10-8/h4-7,12H,1-3H3.
What are the key properties of N-tert-butyl-N-(pyrrol-2-ylidenemethyl)hydroxylamine?
N-tert-butyl-N-(pyrrol-2-ylidenemethyl)hydroxylamine has a molecular weight of 166.22 g/mol, XLogP of 1.96, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-(pyrrol-2-ylidenemethyl)hydroxylamine is sourced from PubChem (CID 73411257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).