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

C10H11NO2 — CID 58102870

IUPAC(NE)-N-(4-methoxy-2,3-dihydroinden-1-ylidene)hydroxylamine
SMILESCOc1cccc2c1CC/C2=N\O
InChIInChI=1S/C10H11NO2/c1-13-10-4-2-3-7-8(10)5-6-9(7)11-12/h2-4,12H,5-6H2,1H3/b11-9+
InChIKeyOTVSUGXVPKEVLH-PKNBQFBNSA-N
MW177.20 g/mol
LogP1.82
Rot. Bonds1

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

(NE)-N-(4-methoxy-2,3-dihydroinden-1-ylidene)hydroxylamine (PubChem CID 58102870) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is (NE)-N-(4-methoxy-2,3-dihydroinden-1-ylidene)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(4-methoxy-2,3-dihydroinden-1-ylidene)hydroxylamine
PubChem CID58102870
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name(NE)-N-(4-methoxy-2,3-dihydroinden-1-ylidene)hydroxylamine
SMILESCOc1cccc2c1CC/C2=N\O
InChIInChI=1S/C10H11NO2/c1-13-10-4-2-3-7-8(10)5-6-9(7)11-12/h2-4,12H,5-6H2,1H3/b11-9+
InChIKeyOTVSUGXVPKEVLH-PKNBQFBNSA-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-(4-methoxy-2,3-dihydroinden-1-ylidene)hydroxylamine?
The IUPAC name of (NE)-N-(4-methoxy-2,3-dihydroinden-1-ylidene)hydroxylamine (CID 58102870) is (NE)-N-(4-methoxy-2,3-dihydroinden-1-ylidene)hydroxylamine.
What is the SMILES notation for (NE)-N-(4-methoxy-2,3-dihydroinden-1-ylidene)hydroxylamine?
The canonical SMILES for (NE)-N-(4-methoxy-2,3-dihydroinden-1-ylidene)hydroxylamine is COc1cccc2c1CC/C2=N\O.
What is the InChIKey of (NE)-N-(4-methoxy-2,3-dihydroinden-1-ylidene)hydroxylamine?
The InChIKey is OTVSUGXVPKEVLH-PKNBQFBNSA-N. The full InChI is InChI=1S/C10H11NO2/c1-13-10-4-2-3-7-8(10)5-6-9(7)11-12/h2-4,12H,5-6H2,1H3/b11-9+.
What are the key properties of (NE)-N-(4-methoxy-2,3-dihydroinden-1-ylidene)hydroxylamine?
(NE)-N-(4-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-(4-methoxy-2,3-dihydroinden-1-ylidene)hydroxylamine is sourced from PubChem (CID 58102870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).