(NZ)-N-(2-methyl-1-phenylpropylidene)hydroxylamine

C10H13NO — CID 6508587

IUPAC(NZ)-N-(2-methyl-1-phenylpropylidene)hydroxylamine
SMILESCC(C)/C(=N/O)c1ccccc1
InChIInChI=1S/C10H13NO/c1-8(2)10(11-12)9-6-4-3-5-7-9/h3-8,12H,1-2H3/b11-10-
InChIKeyXGGRPWHGTGIDPM-KHPPLWFESA-N
MW163.22 g/mol
LogP2.52
Rot. Bonds2

About (NZ)-N-(2-methyl-1-phenylpropylidene)hydroxylamine

(NZ)-N-(2-methyl-1-phenylpropylidene)hydroxylamine (PubChem CID 6508587) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is (NZ)-N-(2-methyl-1-phenylpropylidene)hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-(2-methyl-1-phenylpropylidene)hydroxylamine
PubChem CID6508587
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name(NZ)-N-(2-methyl-1-phenylpropylidene)hydroxylamine
SMILESCC(C)/C(=N/O)c1ccccc1
InChIInChI=1S/C10H13NO/c1-8(2)10(11-12)9-6-4-3-5-7-9/h3-8,12H,1-2H3/b11-10-
InChIKeyXGGRPWHGTGIDPM-KHPPLWFESA-N
XLogP2.52
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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 (NZ)-N-(2-methyl-1-phenylpropylidene)hydroxylamine?
The IUPAC name of (NZ)-N-(2-methyl-1-phenylpropylidene)hydroxylamine (CID 6508587) is (NZ)-N-(2-methyl-1-phenylpropylidene)hydroxylamine.
What is the SMILES notation for (NZ)-N-(2-methyl-1-phenylpropylidene)hydroxylamine?
The canonical SMILES for (NZ)-N-(2-methyl-1-phenylpropylidene)hydroxylamine is CC(C)/C(=N/O)c1ccccc1.
What is the InChIKey of (NZ)-N-(2-methyl-1-phenylpropylidene)hydroxylamine?
The InChIKey is XGGRPWHGTGIDPM-KHPPLWFESA-N. The full InChI is InChI=1S/C10H13NO/c1-8(2)10(11-12)9-6-4-3-5-7-9/h3-8,12H,1-2H3/b11-10-.
What are the key properties of (NZ)-N-(2-methyl-1-phenylpropylidene)hydroxylamine?
(NZ)-N-(2-methyl-1-phenylpropylidene)hydroxylamine has a molecular weight of 163.22 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-(2-methyl-1-phenylpropylidene)hydroxylamine is sourced from PubChem (CID 6508587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).