N-(5-chloro-2,3-dihydroinden-1-ylidene)hydroxylamine;methoxymethane

C11H14ClNO2 — CID 174673437

IUPACN-(5-chloro-2,3-dihydroinden-1-ylidene)hydroxylamine;methoxymethane
SMILESCOC.ON=C1CCc2cc(Cl)ccc21
InChIInChI=1S/C9H8ClNO.C2H6O/c10-7-2-3-8-6(5-7)1-4-9(8)11-12;1-3-2/h2-3,5,12H,1,4H2;1-2H3
InChIKeyLOUTTYZZVFYZPJ-UHFFFAOYSA-N
MW227.69 g/mol
LogP2.73
Rot. Bonds

About N-(5-chloro-2,3-dihydroinden-1-ylidene)hydroxylamine;methoxymethane

N-(5-chloro-2,3-dihydroinden-1-ylidene)hydroxylamine;methoxymethane (PubChem CID 174673437) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is N-(5-chloro-2,3-dihydroinden-1-ylidene)hydroxylamine;methoxymethane.

Molecular Properties

Compound NameN-(5-chloro-2,3-dihydroinden-1-ylidene)hydroxylamine;methoxymethane
PubChem CID174673437
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC NameN-(5-chloro-2,3-dihydroinden-1-ylidene)hydroxylamine;methoxymethane
SMILESCOC.ON=C1CCc2cc(Cl)ccc21
InChIInChI=1S/C9H8ClNO.C2H6O/c10-7-2-3-8-6(5-7)1-4-9(8)11-12;1-3-2/h2-3,5,12H,1,4H2;1-2H3
InChIKeyLOUTTYZZVFYZPJ-UHFFFAOYSA-N
XLogP2.73
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(5-chloro-2,3-dihydroinden-1-ylidene)hydroxylamine;methoxymethane?
The IUPAC name of N-(5-chloro-2,3-dihydroinden-1-ylidene)hydroxylamine;methoxymethane (CID 174673437) is N-(5-chloro-2,3-dihydroinden-1-ylidene)hydroxylamine;methoxymethane.
What is the SMILES notation for N-(5-chloro-2,3-dihydroinden-1-ylidene)hydroxylamine;methoxymethane?
The canonical SMILES for N-(5-chloro-2,3-dihydroinden-1-ylidene)hydroxylamine;methoxymethane is COC.ON=C1CCc2cc(Cl)ccc21.
What is the InChIKey of N-(5-chloro-2,3-dihydroinden-1-ylidene)hydroxylamine;methoxymethane?
The InChIKey is LOUTTYZZVFYZPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClNO.C2H6O/c10-7-2-3-8-6(5-7)1-4-9(8)11-12;1-3-2/h2-3,5,12H,1,4H2;1-2H3.
What are the key properties of N-(5-chloro-2,3-dihydroinden-1-ylidene)hydroxylamine;methoxymethane?
N-(5-chloro-2,3-dihydroinden-1-ylidene)hydroxylamine;methoxymethane has a molecular weight of 227.69 g/mol, XLogP of 2.73, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2,3-dihydroinden-1-ylidene)hydroxylamine;methoxymethane is sourced from PubChem (CID 174673437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).