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

C9H11NO — CID 5385533

IUPAC(NZ)-N-(1-phenylpropylidene)hydroxylamine
SMILESCC/C(=N/O)c1ccccc1
InChIInChI=1S/C9H11NO/c1-2-9(10-11)8-6-4-3-5-7-8/h3-7,11H,2H2,1H3/b10-9-
InChIKeyMDLJMYBJBOYUNJ-KTKRTIGZSA-N
MW149.19 g/mol
LogP2.27
Rot. Bonds2

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

(NZ)-N-(1-phenylpropylidene)hydroxylamine (PubChem CID 5385533) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is (NZ)-N-(1-phenylpropylidene)hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-(1-phenylpropylidene)hydroxylamine
PubChem CID5385533
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name(NZ)-N-(1-phenylpropylidene)hydroxylamine
SMILESCC/C(=N/O)c1ccccc1
InChIInChI=1S/C9H11NO/c1-2-9(10-11)8-6-4-3-5-7-8/h3-7,11H,2H2,1H3/b10-9-
InChIKeyMDLJMYBJBOYUNJ-KTKRTIGZSA-N
XLogP2.27
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 52.27
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-(1-phenylpropylidene)hydroxylamine?
The IUPAC name of (NZ)-N-(1-phenylpropylidene)hydroxylamine (CID 5385533) is (NZ)-N-(1-phenylpropylidene)hydroxylamine.
What is the SMILES notation for (NZ)-N-(1-phenylpropylidene)hydroxylamine?
The canonical SMILES for (NZ)-N-(1-phenylpropylidene)hydroxylamine is CC/C(=N/O)c1ccccc1.
What is the InChIKey of (NZ)-N-(1-phenylpropylidene)hydroxylamine?
The InChIKey is MDLJMYBJBOYUNJ-KTKRTIGZSA-N. The full InChI is InChI=1S/C9H11NO/c1-2-9(10-11)8-6-4-3-5-7-8/h3-7,11H,2H2,1H3/b10-9-.
What are the key properties of (NZ)-N-(1-phenylpropylidene)hydroxylamine?
(NZ)-N-(1-phenylpropylidene)hydroxylamine has a molecular weight of 149.19 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-(1-phenylpropylidene)hydroxylamine is sourced from PubChem (CID 5385533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).