N-[1-(2,3-dihydro-1H-inden-5-yl)ethylidene]hydroxylamine

C11H13NO — CID 2825047

IUPACN-[1-(2,3-dihydro-1H-inden-5-yl)ethylidene]hydroxylamine
SMILESCC(=NO)c1ccc2c(c1)CCC2
InChIInChI=1S/C11H13NO/c1-8(12-13)10-6-5-9-3-2-4-11(9)7-10/h5-7,13H,2-4H2,1H3
InChIKeyOZQPZHZGJWHZRU-UHFFFAOYSA-N
MW175.23 g/mol
LogP2.37
Rot. Bonds1

About N-[1-(2,3-dihydro-1H-inden-5-yl)ethylidene]hydroxylamine

N-[1-(2,3-dihydro-1H-inden-5-yl)ethylidene]hydroxylamine (PubChem CID 2825047) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is N-[1-(2,3-dihydro-1H-inden-5-yl)ethylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1-(2,3-dihydro-1H-inden-5-yl)ethylidene]hydroxylamine
PubChem CID2825047
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC NameN-[1-(2,3-dihydro-1H-inden-5-yl)ethylidene]hydroxylamine
SMILESCC(=NO)c1ccc2c(c1)CCC2
InChIInChI=1S/C11H13NO/c1-8(12-13)10-6-5-9-3-2-4-11(9)7-10/h5-7,13H,2-4H2,1H3
InChIKeyOZQPZHZGJWHZRU-UHFFFAOYSA-N
XLogP2.37
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 52.37
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-[1-(2,3-dihydro-1H-inden-5-yl)ethylidene]hydroxylamine?
The IUPAC name of N-[1-(2,3-dihydro-1H-inden-5-yl)ethylidene]hydroxylamine (CID 2825047) is N-[1-(2,3-dihydro-1H-inden-5-yl)ethylidene]hydroxylamine.
What is the SMILES notation for N-[1-(2,3-dihydro-1H-inden-5-yl)ethylidene]hydroxylamine?
The canonical SMILES for N-[1-(2,3-dihydro-1H-inden-5-yl)ethylidene]hydroxylamine is CC(=NO)c1ccc2c(c1)CCC2.
What is the InChIKey of N-[1-(2,3-dihydro-1H-inden-5-yl)ethylidene]hydroxylamine?
The InChIKey is OZQPZHZGJWHZRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c1-8(12-13)10-6-5-9-3-2-4-11(9)7-10/h5-7,13H,2-4H2,1H3.
What are the key properties of N-[1-(2,3-dihydro-1H-inden-5-yl)ethylidene]hydroxylamine?
N-[1-(2,3-dihydro-1H-inden-5-yl)ethylidene]hydroxylamine has a molecular weight of 175.23 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-dihydro-1H-inden-5-yl)ethylidene]hydroxylamine is sourced from PubChem (CID 2825047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).