N-(3,5-dihydroinden-4-ylidene)hydroxylamine

C9H9NO — CID 118422252

IUPACN-(3,5-dihydroinden-4-ylidene)hydroxylamine
SMILESON=C1CC=CC2=C1CC=C2
InChIInChI=1S/C9H9NO/c11-10-9-6-2-4-7-3-1-5-8(7)9/h1-4,11H,5-6H2
InChIKeySEDFOGZVWABRLQ-UHFFFAOYSA-N
MW147.18 g/mol
LogP2.03
Rot. Bonds

About N-(3,5-dihydroinden-4-ylidene)hydroxylamine

N-(3,5-dihydroinden-4-ylidene)hydroxylamine (PubChem CID 118422252) has the molecular formula C9H9NO and a molecular weight of 147.18 g/mol. Its IUPAC name is N-(3,5-dihydroinden-4-ylidene)hydroxylamine.

Molecular Properties

Compound NameN-(3,5-dihydroinden-4-ylidene)hydroxylamine
PubChem CID118422252
Molecular FormulaC9H9NO
Molecular Weight147.18 g/mol
Exact Mass147.07
IUPAC NameN-(3,5-dihydroinden-4-ylidene)hydroxylamine
SMILESON=C1CC=CC2=C1CC=C2
InChIInChI=1S/C9H9NO/c11-10-9-6-2-4-7-3-1-5-8(7)9/h1-4,11H,5-6H2
InChIKeySEDFOGZVWABRLQ-UHFFFAOYSA-N
XLogP2.03
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 52.03
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 N-(3,5-dihydroinden-4-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 N-(3,5-dihydroinden-4-ylidene)hydroxylamine?
The IUPAC name of N-(3,5-dihydroinden-4-ylidene)hydroxylamine (CID 118422252) is N-(3,5-dihydroinden-4-ylidene)hydroxylamine.
What is the SMILES notation for N-(3,5-dihydroinden-4-ylidene)hydroxylamine?
The canonical SMILES for N-(3,5-dihydroinden-4-ylidene)hydroxylamine is ON=C1CC=CC2=C1CC=C2.
What is the InChIKey of N-(3,5-dihydroinden-4-ylidene)hydroxylamine?
The InChIKey is SEDFOGZVWABRLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO/c11-10-9-6-2-4-7-3-1-5-8(7)9/h1-4,11H,5-6H2.
What are the key properties of N-(3,5-dihydroinden-4-ylidene)hydroxylamine?
N-(3,5-dihydroinden-4-ylidene)hydroxylamine has a molecular weight of 147.18 g/mol, XLogP of 2.03, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dihydroinden-4-ylidene)hydroxylamine is sourced from PubChem (CID 118422252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).