(NE)-N-[(7-phenoxy-1H-inden-2-yl)methylidene]hydroxylamine

C16H13NO2 — CID 10729424

IUPAC(NE)-N-[(7-phenoxy-1H-inden-2-yl)methylidene]hydroxylamine
SMILESO/N=C/C1=Cc2cccc(Oc3ccccc3)c2C1
InChIInChI=1S/C16H13NO2/c18-17-11-12-9-13-5-4-8-16(15(13)10-12)19-14-6-2-1-3-7-14/h1-9,11,18H,10H2/b17-11+
InChIKeyBYGXYXVGSDPAJQ-GZTJUZNOSA-N
MW251.29 g/mol
LogP3.88
Rot. Bonds3

About (NE)-N-[(7-phenoxy-1H-inden-2-yl)methylidene]hydroxylamine

(NE)-N-[(7-phenoxy-1H-inden-2-yl)methylidene]hydroxylamine (PubChem CID 10729424) has the molecular formula C16H13NO2 and a molecular weight of 251.29 g/mol. Its IUPAC name is (NE)-N-[(7-phenoxy-1H-inden-2-yl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(7-phenoxy-1H-inden-2-yl)methylidene]hydroxylamine
PubChem CID10729424
Molecular FormulaC16H13NO2
Molecular Weight251.29 g/mol
Exact Mass251.09
IUPAC Name(NE)-N-[(7-phenoxy-1H-inden-2-yl)methylidene]hydroxylamine
SMILESO/N=C/C1=Cc2cccc(Oc3ccccc3)c2C1
InChIInChI=1S/C16H13NO2/c18-17-11-12-9-13-5-4-8-16(15(13)10-12)19-14-6-2-1-3-7-14/h1-9,11,18H,10H2/b17-11+
InChIKeyBYGXYXVGSDPAJQ-GZTJUZNOSA-N
XLogP3.88
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 53.88
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-[(7-phenoxy-1H-inden-2-yl)methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(7-phenoxy-1H-inden-2-yl)methylidene]hydroxylamine (CID 10729424) is (NE)-N-[(7-phenoxy-1H-inden-2-yl)methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(7-phenoxy-1H-inden-2-yl)methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(7-phenoxy-1H-inden-2-yl)methylidene]hydroxylamine is O/N=C/C1=Cc2cccc(Oc3ccccc3)c2C1.
What is the InChIKey of (NE)-N-[(7-phenoxy-1H-inden-2-yl)methylidene]hydroxylamine?
The InChIKey is BYGXYXVGSDPAJQ-GZTJUZNOSA-N. The full InChI is InChI=1S/C16H13NO2/c18-17-11-12-9-13-5-4-8-16(15(13)10-12)19-14-6-2-1-3-7-14/h1-9,11,18H,10H2/b17-11+.
What are the key properties of (NE)-N-[(7-phenoxy-1H-inden-2-yl)methylidene]hydroxylamine?
(NE)-N-[(7-phenoxy-1H-inden-2-yl)methylidene]hydroxylamine has a molecular weight of 251.29 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(7-phenoxy-1H-inden-2-yl)methylidene]hydroxylamine is sourced from PubChem (CID 10729424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).