(NE)-N-[2-(1H-indol-3-yl)ethylidene]hydroxylamine

C10H10N2O — CID 5371769

IUPAC(NE)-N-[2-(1H-indol-3-yl)ethylidene]hydroxylamine
SMILESO/N=C/Cc1c[nH]c2ccccc12
InChIInChI=1S/C10H10N2O/c13-12-6-5-8-7-11-10-4-2-1-3-9(8)10/h1-4,6-7,11,13H,5H2/b12-6+
InChIKeyZLIGRGHTISHYNH-WUXMJOGZSA-N
MW174.20 g/mol
LogP2.17
Rot. Bonds2

About (NE)-N-[2-(1H-indol-3-yl)ethylidene]hydroxylamine

(NE)-N-[2-(1H-indol-3-yl)ethylidene]hydroxylamine (PubChem CID 5371769) has the molecular formula C10H10N2O and a molecular weight of 174.20 g/mol. Its IUPAC name is (NE)-N-[2-(1H-indol-3-yl)ethylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[2-(1H-indol-3-yl)ethylidene]hydroxylamine
PubChem CID5371769
Molecular FormulaC10H10N2O
Molecular Weight174.20 g/mol
Exact Mass174.08
IUPAC Name(NE)-N-[2-(1H-indol-3-yl)ethylidene]hydroxylamine
SMILESO/N=C/Cc1c[nH]c2ccccc12
InChIInChI=1S/C10H10N2O/c13-12-6-5-8-7-11-10-4-2-1-3-9(8)10/h1-4,6-7,11,13H,5H2/b12-6+
InChIKeyZLIGRGHTISHYNH-WUXMJOGZSA-N
XLogP2.17
TPSA48.38 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 52.17
H-Bond Donors ≤ 52
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 (NE)-N-[2-(1H-indol-3-yl)ethylidene]hydroxylamine?
The IUPAC name of (NE)-N-[2-(1H-indol-3-yl)ethylidene]hydroxylamine (CID 5371769) is (NE)-N-[2-(1H-indol-3-yl)ethylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[2-(1H-indol-3-yl)ethylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[2-(1H-indol-3-yl)ethylidene]hydroxylamine is O/N=C/Cc1c[nH]c2ccccc12.
What is the InChIKey of (NE)-N-[2-(1H-indol-3-yl)ethylidene]hydroxylamine?
The InChIKey is ZLIGRGHTISHYNH-WUXMJOGZSA-N. The full InChI is InChI=1S/C10H10N2O/c13-12-6-5-8-7-11-10-4-2-1-3-9(8)10/h1-4,6-7,11,13H,5H2/b12-6+.
What are the key properties of (NE)-N-[2-(1H-indol-3-yl)ethylidene]hydroxylamine?
(NE)-N-[2-(1H-indol-3-yl)ethylidene]hydroxylamine has a molecular weight of 174.20 g/mol, XLogP of 2.17, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[2-(1H-indol-3-yl)ethylidene]hydroxylamine is sourced from PubChem (CID 5371769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).