N-(1-imidazol-1-yl-2-methylpropylidene)hydroxylamine

C7H11N3O — CID 88748178

IUPACN-(1-imidazol-1-yl-2-methylpropylidene)hydroxylamine
SMILESCC(C)C(=NO)n1ccnc1
InChIInChI=1S/C7H11N3O/c1-6(2)7(9-11)10-4-3-8-5-10/h3-6,11H,1-2H3
InChIKeyOUAJTICUCAOAOT-UHFFFAOYSA-N
MW153.19 g/mol
LogP1.17
Rot. Bonds1

About N-(1-imidazol-1-yl-2-methylpropylidene)hydroxylamine

N-(1-imidazol-1-yl-2-methylpropylidene)hydroxylamine (PubChem CID 88748178) has the molecular formula C7H11N3O and a molecular weight of 153.19 g/mol. Its IUPAC name is N-(1-imidazol-1-yl-2-methylpropylidene)hydroxylamine.

Molecular Properties

Compound NameN-(1-imidazol-1-yl-2-methylpropylidene)hydroxylamine
PubChem CID88748178
Molecular FormulaC7H11N3O
Molecular Weight153.19 g/mol
Exact Mass153.09
IUPAC NameN-(1-imidazol-1-yl-2-methylpropylidene)hydroxylamine
SMILESCC(C)C(=NO)n1ccnc1
InChIInChI=1S/C7H11N3O/c1-6(2)7(9-11)10-4-3-8-5-10/h3-6,11H,1-2H3
InChIKeyOUAJTICUCAOAOT-UHFFFAOYSA-N
XLogP1.17
TPSA50.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.19
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(1-imidazol-1-yl-2-methylpropylidene)hydroxylamine?
The IUPAC name of N-(1-imidazol-1-yl-2-methylpropylidene)hydroxylamine (CID 88748178) is N-(1-imidazol-1-yl-2-methylpropylidene)hydroxylamine.
What is the SMILES notation for N-(1-imidazol-1-yl-2-methylpropylidene)hydroxylamine?
The canonical SMILES for N-(1-imidazol-1-yl-2-methylpropylidene)hydroxylamine is CC(C)C(=NO)n1ccnc1.
What is the InChIKey of N-(1-imidazol-1-yl-2-methylpropylidene)hydroxylamine?
The InChIKey is OUAJTICUCAOAOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O/c1-6(2)7(9-11)10-4-3-8-5-10/h3-6,11H,1-2H3.
What are the key properties of N-(1-imidazol-1-yl-2-methylpropylidene)hydroxylamine?
N-(1-imidazol-1-yl-2-methylpropylidene)hydroxylamine has a molecular weight of 153.19 g/mol, XLogP of 1.17, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-imidazol-1-yl-2-methylpropylidene)hydroxylamine is sourced from PubChem (CID 88748178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).