(NE)-N-(5-methoxy-2,3-dihydroinden-1-ylidene)hydroxylamine

C10H11NO2 — CID 6157494

IUPAC(NE)-N-(5-methoxy-2,3-dihydroinden-1-ylidene)hydroxylamine
SMILESCOc1ccc2c(c1)CC/C2=N\O
InChIInChI=1S/C10H11NO2/c1-13-8-3-4-9-7(6-8)2-5-10(9)11-12/h3-4,6,12H,2,5H2,1H3/b11-10+
InChIKeyROZVRQXOAGSIOW-ZHACJKMWSA-N
MW177.20 g/mol
LogP1.82
Rot. Bonds1

About (NE)-N-(5-methoxy-2,3-dihydroinden-1-ylidene)hydroxylamine

(NE)-N-(5-methoxy-2,3-dihydroinden-1-ylidene)hydroxylamine (PubChem CID 6157494) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is (NE)-N-(5-methoxy-2,3-dihydroinden-1-ylidene)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(5-methoxy-2,3-dihydroinden-1-ylidene)hydroxylamine
PubChem CID6157494
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name(NE)-N-(5-methoxy-2,3-dihydroinden-1-ylidene)hydroxylamine
SMILESCOc1ccc2c(c1)CC/C2=N\O
InChIInChI=1S/C10H11NO2/c1-13-8-3-4-9-7(6-8)2-5-10(9)11-12/h3-4,6,12H,2,5H2,1H3/b11-10+
InChIKeyROZVRQXOAGSIOW-ZHACJKMWSA-N
XLogP1.82
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 51.82
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 (NE)-N-(5-methoxy-2,3-dihydroinden-1-ylidene)hydroxylamine?
The IUPAC name of (NE)-N-(5-methoxy-2,3-dihydroinden-1-ylidene)hydroxylamine (CID 6157494) is (NE)-N-(5-methoxy-2,3-dihydroinden-1-ylidene)hydroxylamine.
What is the SMILES notation for (NE)-N-(5-methoxy-2,3-dihydroinden-1-ylidene)hydroxylamine?
The canonical SMILES for (NE)-N-(5-methoxy-2,3-dihydroinden-1-ylidene)hydroxylamine is COc1ccc2c(c1)CC/C2=N\O.
What is the InChIKey of (NE)-N-(5-methoxy-2,3-dihydroinden-1-ylidene)hydroxylamine?
The InChIKey is ROZVRQXOAGSIOW-ZHACJKMWSA-N. The full InChI is InChI=1S/C10H11NO2/c1-13-8-3-4-9-7(6-8)2-5-10(9)11-12/h3-4,6,12H,2,5H2,1H3/b11-10+.
What are the key properties of (NE)-N-(5-methoxy-2,3-dihydroinden-1-ylidene)hydroxylamine?
(NE)-N-(5-methoxy-2,3-dihydroinden-1-ylidene)hydroxylamine has a molecular weight of 177.20 g/mol, XLogP of 1.82, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(5-methoxy-2,3-dihydroinden-1-ylidene)hydroxylamine is sourced from PubChem (CID 6157494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).