(NZ)-N-(2-methoxy-2-phenylcycloheptylidene)hydroxylamine

C14H19NO2 — CID 6152169

IUPAC(NZ)-N-(2-methoxy-2-phenylcycloheptylidene)hydroxylamine
SMILESCOC1(c2ccccc2)CCCCC/C1=N/O
InChIInChI=1S/C14H19NO2/c1-17-14(12-8-4-2-5-9-12)11-7-3-6-10-13(14)15-16/h2,4-5,8-9,16H,3,6-7,10-11H2,1H3/b15-13-
InChIKeyFDFQKAZUNYZLQH-SQFISAMPSA-N
MW233.31 g/mol
LogP3.32
Rot. Bonds2

About (NZ)-N-(2-methoxy-2-phenylcycloheptylidene)hydroxylamine

(NZ)-N-(2-methoxy-2-phenylcycloheptylidene)hydroxylamine (PubChem CID 6152169) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is (NZ)-N-(2-methoxy-2-phenylcycloheptylidene)hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-(2-methoxy-2-phenylcycloheptylidene)hydroxylamine
PubChem CID6152169
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name(NZ)-N-(2-methoxy-2-phenylcycloheptylidene)hydroxylamine
SMILESCOC1(c2ccccc2)CCCCC/C1=N/O
InChIInChI=1S/C14H19NO2/c1-17-14(12-8-4-2-5-9-12)11-7-3-6-10-13(14)15-16/h2,4-5,8-9,16H,3,6-7,10-11H2,1H3/b15-13-
InChIKeyFDFQKAZUNYZLQH-SQFISAMPSA-N
XLogP3.32
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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'}

Analyze (NZ)-N-(2-methoxy-2-phenylcycloheptylidene)hydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-(2-methoxy-2-phenylcycloheptylidene)hydroxylamine?
The IUPAC name of (NZ)-N-(2-methoxy-2-phenylcycloheptylidene)hydroxylamine (CID 6152169) is (NZ)-N-(2-methoxy-2-phenylcycloheptylidene)hydroxylamine.
What is the SMILES notation for (NZ)-N-(2-methoxy-2-phenylcycloheptylidene)hydroxylamine?
The canonical SMILES for (NZ)-N-(2-methoxy-2-phenylcycloheptylidene)hydroxylamine is COC1(c2ccccc2)CCCCC/C1=N/O.
What is the InChIKey of (NZ)-N-(2-methoxy-2-phenylcycloheptylidene)hydroxylamine?
The InChIKey is FDFQKAZUNYZLQH-SQFISAMPSA-N. The full InChI is InChI=1S/C14H19NO2/c1-17-14(12-8-4-2-5-9-12)11-7-3-6-10-13(14)15-16/h2,4-5,8-9,16H,3,6-7,10-11H2,1H3/b15-13-.
What are the key properties of (NZ)-N-(2-methoxy-2-phenylcycloheptylidene)hydroxylamine?
(NZ)-N-(2-methoxy-2-phenylcycloheptylidene)hydroxylamine has a molecular weight of 233.31 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-(2-methoxy-2-phenylcycloheptylidene)hydroxylamine is sourced from PubChem (CID 6152169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).