(NE)-N-[1-(1-methylindazol-4-yl)ethylidene]hydroxylamine

C10H11N3O — CID 137308281

IUPAC(NE)-N-[1-(1-methylindazol-4-yl)ethylidene]hydroxylamine
SMILESC/C(=N\O)c1cccc2c1cnn2C
InChIInChI=1S/C10H11N3O/c1-7(12-14)8-4-3-5-10-9(8)6-11-13(10)2/h3-6,14H,1-2H3/b12-7+
InChIKeyNRJIWPLIYCDYJC-KPKJPENVSA-N
MW189.22 g/mol
LogP1.77
Rot. Bonds1

About (NE)-N-[1-(1-methylindazol-4-yl)ethylidene]hydroxylamine

(NE)-N-[1-(1-methylindazol-4-yl)ethylidene]hydroxylamine (PubChem CID 137308281) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is (NE)-N-[1-(1-methylindazol-4-yl)ethylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[1-(1-methylindazol-4-yl)ethylidene]hydroxylamine
PubChem CID137308281
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name(NE)-N-[1-(1-methylindazol-4-yl)ethylidene]hydroxylamine
SMILESC/C(=N\O)c1cccc2c1cnn2C
InChIInChI=1S/C10H11N3O/c1-7(12-14)8-4-3-5-10-9(8)6-11-13(10)2/h3-6,14H,1-2H3/b12-7+
InChIKeyNRJIWPLIYCDYJC-KPKJPENVSA-N
XLogP1.77
TPSA50.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[1-(1-methylindazol-4-yl)ethylidene]hydroxylamine?
The IUPAC name of (NE)-N-[1-(1-methylindazol-4-yl)ethylidene]hydroxylamine (CID 137308281) is (NE)-N-[1-(1-methylindazol-4-yl)ethylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[1-(1-methylindazol-4-yl)ethylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[1-(1-methylindazol-4-yl)ethylidene]hydroxylamine is C/C(=N\O)c1cccc2c1cnn2C.
What is the InChIKey of (NE)-N-[1-(1-methylindazol-4-yl)ethylidene]hydroxylamine?
The InChIKey is NRJIWPLIYCDYJC-KPKJPENVSA-N. The full InChI is InChI=1S/C10H11N3O/c1-7(12-14)8-4-3-5-10-9(8)6-11-13(10)2/h3-6,14H,1-2H3/b12-7+.
What are the key properties of (NE)-N-[1-(1-methylindazol-4-yl)ethylidene]hydroxylamine?
(NE)-N-[1-(1-methylindazol-4-yl)ethylidene]hydroxylamine has a molecular weight of 189.22 g/mol, XLogP of 1.77, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[1-(1-methylindazol-4-yl)ethylidene]hydroxylamine is sourced from PubChem (CID 137308281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).