N-(4-ethenyl-2,3-dihydroinden-1-ylidene)hydroxylamine

C11H11NO — CID 86657345

IUPACN-(4-ethenyl-2,3-dihydroinden-1-ylidene)hydroxylamine
SMILESC=Cc1cccc2c1CCC2=NO
InChIInChI=1S/C11H11NO/c1-2-8-4-3-5-10-9(8)6-7-11(10)12-13/h2-5,13H,1,6-7H2
InChIKeyAEZADCLKGKUAPQ-UHFFFAOYSA-N
MW173.22 g/mol
LogP2.45
Rot. Bonds1

About N-(4-ethenyl-2,3-dihydroinden-1-ylidene)hydroxylamine

N-(4-ethenyl-2,3-dihydroinden-1-ylidene)hydroxylamine (PubChem CID 86657345) has the molecular formula C11H11NO and a molecular weight of 173.22 g/mol. Its IUPAC name is N-(4-ethenyl-2,3-dihydroinden-1-ylidene)hydroxylamine.

Molecular Properties

Compound NameN-(4-ethenyl-2,3-dihydroinden-1-ylidene)hydroxylamine
PubChem CID86657345
Molecular FormulaC11H11NO
Molecular Weight173.22 g/mol
Exact Mass173.08
IUPAC NameN-(4-ethenyl-2,3-dihydroinden-1-ylidene)hydroxylamine
SMILESC=Cc1cccc2c1CCC2=NO
InChIInChI=1S/C11H11NO/c1-2-8-4-3-5-10-9(8)6-7-11(10)12-13/h2-5,13H,1,6-7H2
InChIKeyAEZADCLKGKUAPQ-UHFFFAOYSA-N
XLogP2.45
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 52.45
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-(4-ethenyl-2,3-dihydroinden-1-ylidene)hydroxylamine?
The IUPAC name of N-(4-ethenyl-2,3-dihydroinden-1-ylidene)hydroxylamine (CID 86657345) is N-(4-ethenyl-2,3-dihydroinden-1-ylidene)hydroxylamine.
What is the SMILES notation for N-(4-ethenyl-2,3-dihydroinden-1-ylidene)hydroxylamine?
The canonical SMILES for N-(4-ethenyl-2,3-dihydroinden-1-ylidene)hydroxylamine is C=Cc1cccc2c1CCC2=NO.
What is the InChIKey of N-(4-ethenyl-2,3-dihydroinden-1-ylidene)hydroxylamine?
The InChIKey is AEZADCLKGKUAPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO/c1-2-8-4-3-5-10-9(8)6-7-11(10)12-13/h2-5,13H,1,6-7H2.
What are the key properties of N-(4-ethenyl-2,3-dihydroinden-1-ylidene)hydroxylamine?
N-(4-ethenyl-2,3-dihydroinden-1-ylidene)hydroxylamine has a molecular weight of 173.22 g/mol, XLogP of 2.45, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethenyl-2,3-dihydroinden-1-ylidene)hydroxylamine is sourced from PubChem (CID 86657345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).