(NZ)-N-(4-bromo-2-methyl-2,3-dihydroinden-1-ylidene)hydroxylamine

C10H10BrNO — CID 165411731

IUPAC(NZ)-N-(4-bromo-2-methyl-2,3-dihydroinden-1-ylidene)hydroxylamine
SMILESCC1Cc2c(Br)cccc2/C1=N\O
InChIInChI=1S/C10H10BrNO/c1-6-5-8-7(10(6)12-13)3-2-4-9(8)11/h2-4,6,13H,5H2,1H3/b12-10-
InChIKeyBOJPQWPVJLRDSH-BENRWUELSA-N
MW240.10 g/mol
LogP2.82
Rot. Bonds

About (NZ)-N-(4-bromo-2-methyl-2,3-dihydroinden-1-ylidene)hydroxylamine

(NZ)-N-(4-bromo-2-methyl-2,3-dihydroinden-1-ylidene)hydroxylamine (PubChem CID 165411731) has the molecular formula C10H10BrNO and a molecular weight of 240.10 g/mol. Its IUPAC name is (NZ)-N-(4-bromo-2-methyl-2,3-dihydroinden-1-ylidene)hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-(4-bromo-2-methyl-2,3-dihydroinden-1-ylidene)hydroxylamine
PubChem CID165411731
Molecular FormulaC10H10BrNO
Molecular Weight240.10 g/mol
Exact Mass238.99
IUPAC Name(NZ)-N-(4-bromo-2-methyl-2,3-dihydroinden-1-ylidene)hydroxylamine
SMILESCC1Cc2c(Br)cccc2/C1=N\O
InChIInChI=1S/C10H10BrNO/c1-6-5-8-7(10(6)12-13)3-2-4-9(8)11/h2-4,6,13H,5H2,1H3/b12-10-
InChIKeyBOJPQWPVJLRDSH-BENRWUELSA-N
XLogP2.82
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.10
LogP ≤ 52.82
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'}

Analyze (NZ)-N-(4-bromo-2-methyl-2,3-dihydroinden-1-ylidene)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-(4-bromo-2-methyl-2,3-dihydroinden-1-ylidene)hydroxylamine?
The IUPAC name of (NZ)-N-(4-bromo-2-methyl-2,3-dihydroinden-1-ylidene)hydroxylamine (CID 165411731) is (NZ)-N-(4-bromo-2-methyl-2,3-dihydroinden-1-ylidene)hydroxylamine.
What is the SMILES notation for (NZ)-N-(4-bromo-2-methyl-2,3-dihydroinden-1-ylidene)hydroxylamine?
The canonical SMILES for (NZ)-N-(4-bromo-2-methyl-2,3-dihydroinden-1-ylidene)hydroxylamine is CC1Cc2c(Br)cccc2/C1=N\O.
What is the InChIKey of (NZ)-N-(4-bromo-2-methyl-2,3-dihydroinden-1-ylidene)hydroxylamine?
The InChIKey is BOJPQWPVJLRDSH-BENRWUELSA-N. The full InChI is InChI=1S/C10H10BrNO/c1-6-5-8-7(10(6)12-13)3-2-4-9(8)11/h2-4,6,13H,5H2,1H3/b12-10-.
What are the key properties of (NZ)-N-(4-bromo-2-methyl-2,3-dihydroinden-1-ylidene)hydroxylamine?
(NZ)-N-(4-bromo-2-methyl-2,3-dihydroinden-1-ylidene)hydroxylamine has a molecular weight of 240.10 g/mol, XLogP of 2.82, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-(4-bromo-2-methyl-2,3-dihydroinden-1-ylidene)hydroxylamine is sourced from PubChem (CID 165411731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).