N-(5H-inden-5-ylmethylidene)hydroxylamine

C10H9NO — CID 174437341

IUPACN-(5H-inden-5-ylmethylidene)hydroxylamine
SMILESON=CC1C=CC2=CC=CC2=C1
InChIInChI=1S/C10H9NO/c12-11-7-8-4-5-9-2-1-3-10(9)6-8/h1-8,12H
InChIKeyPLJUKVAPBBUZKP-UHFFFAOYSA-N
MW159.19 g/mol
LogP2.06
Rot. Bonds1

About N-(5H-inden-5-ylmethylidene)hydroxylamine

N-(5H-inden-5-ylmethylidene)hydroxylamine (PubChem CID 174437341) has the molecular formula C10H9NO and a molecular weight of 159.19 g/mol. Its IUPAC name is N-(5H-inden-5-ylmethylidene)hydroxylamine.

Molecular Properties

Compound NameN-(5H-inden-5-ylmethylidene)hydroxylamine
PubChem CID174437341
Molecular FormulaC10H9NO
Molecular Weight159.19 g/mol
Exact Mass159.07
IUPAC NameN-(5H-inden-5-ylmethylidene)hydroxylamine
SMILESON=CC1C=CC2=CC=CC2=C1
InChIInChI=1S/C10H9NO/c12-11-7-8-4-5-9-2-1-3-10(9)6-8/h1-8,12H
InChIKeyPLJUKVAPBBUZKP-UHFFFAOYSA-N
XLogP2.06
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 52.06
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 N-(5H-inden-5-ylmethylidene)hydroxylamine?
The IUPAC name of N-(5H-inden-5-ylmethylidene)hydroxylamine (CID 174437341) is N-(5H-inden-5-ylmethylidene)hydroxylamine.
What is the SMILES notation for N-(5H-inden-5-ylmethylidene)hydroxylamine?
The canonical SMILES for N-(5H-inden-5-ylmethylidene)hydroxylamine is ON=CC1C=CC2=CC=CC2=C1.
What is the InChIKey of N-(5H-inden-5-ylmethylidene)hydroxylamine?
The InChIKey is PLJUKVAPBBUZKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO/c12-11-7-8-4-5-9-2-1-3-10(9)6-8/h1-8,12H.
What are the key properties of N-(5H-inden-5-ylmethylidene)hydroxylamine?
N-(5H-inden-5-ylmethylidene)hydroxylamine has a molecular weight of 159.19 g/mol, XLogP of 2.06, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5H-inden-5-ylmethylidene)hydroxylamine is sourced from PubChem (CID 174437341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).