(NZ)-N-(3,5,6,7-tetrahydro-2H-s-indacen-1-ylidene)hydroxylamine

C12H13NO — CID 5468825

IUPAC(NZ)-N-(3,5,6,7-tetrahydro-2H-s-indacen-1-ylidene)hydroxylamine
SMILESO/N=C1/CCc2cc3c(cc21)CCC3
InChIInChI=1S/C12H13NO/c14-13-12-5-4-10-6-8-2-1-3-9(8)7-11(10)12/h6-7,14H,1-5H2/b13-12-
InChIKeyWWSUHMFQLNZTPL-SEYXRHQNSA-N
MW187.24 g/mol
LogP2.30
Rot. Bonds

About (NZ)-N-(3,5,6,7-tetrahydro-2H-s-indacen-1-ylidene)hydroxylamine

(NZ)-N-(3,5,6,7-tetrahydro-2H-s-indacen-1-ylidene)hydroxylamine (PubChem CID 5468825) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is (NZ)-N-(3,5,6,7-tetrahydro-2H-s-indacen-1-ylidene)hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-(3,5,6,7-tetrahydro-2H-s-indacen-1-ylidene)hydroxylamine
PubChem CID5468825
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name(NZ)-N-(3,5,6,7-tetrahydro-2H-s-indacen-1-ylidene)hydroxylamine
SMILESO/N=C1/CCc2cc3c(cc21)CCC3
InChIInChI=1S/C12H13NO/c14-13-12-5-4-10-6-8-2-1-3-9(8)7-11(10)12/h6-7,14H,1-5H2/b13-12-
InChIKeyWWSUHMFQLNZTPL-SEYXRHQNSA-N
XLogP2.30
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 52.30
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-(3,5,6,7-tetrahydro-2H-s-indacen-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-(3,5,6,7-tetrahydro-2H-s-indacen-1-ylidene)hydroxylamine?
The IUPAC name of (NZ)-N-(3,5,6,7-tetrahydro-2H-s-indacen-1-ylidene)hydroxylamine (CID 5468825) is (NZ)-N-(3,5,6,7-tetrahydro-2H-s-indacen-1-ylidene)hydroxylamine.
What is the SMILES notation for (NZ)-N-(3,5,6,7-tetrahydro-2H-s-indacen-1-ylidene)hydroxylamine?
The canonical SMILES for (NZ)-N-(3,5,6,7-tetrahydro-2H-s-indacen-1-ylidene)hydroxylamine is O/N=C1/CCc2cc3c(cc21)CCC3.
What is the InChIKey of (NZ)-N-(3,5,6,7-tetrahydro-2H-s-indacen-1-ylidene)hydroxylamine?
The InChIKey is WWSUHMFQLNZTPL-SEYXRHQNSA-N. The full InChI is InChI=1S/C12H13NO/c14-13-12-5-4-10-6-8-2-1-3-9(8)7-11(10)12/h6-7,14H,1-5H2/b13-12-.
What are the key properties of (NZ)-N-(3,5,6,7-tetrahydro-2H-s-indacen-1-ylidene)hydroxylamine?
(NZ)-N-(3,5,6,7-tetrahydro-2H-s-indacen-1-ylidene)hydroxylamine has a molecular weight of 187.24 g/mol, XLogP of 2.30, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-(3,5,6,7-tetrahydro-2H-s-indacen-1-ylidene)hydroxylamine is sourced from PubChem (CID 5468825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).