(NE)-N-[(3-phenylcinnolin-6-yl)methylidene]hydroxylamine

C15H11N3O — CID 170578075

IUPAC(NE)-N-[(3-phenylcinnolin-6-yl)methylidene]hydroxylamine
SMILESO/N=C/c1ccc2nnc(-c3ccccc3)cc2c1
InChIInChI=1S/C15H11N3O/c19-16-10-11-6-7-14-13(8-11)9-15(18-17-14)12-4-2-1-3-5-12/h1-10,19H/b16-10+
InChIKeyPPKFVECWTDHDIH-MHWRWJLKSA-N
MW249.27 g/mol
LogP3.10
Rot. Bonds2

About (NE)-N-[(3-phenylcinnolin-6-yl)methylidene]hydroxylamine

(NE)-N-[(3-phenylcinnolin-6-yl)methylidene]hydroxylamine (PubChem CID 170578075) has the molecular formula C15H11N3O and a molecular weight of 249.27 g/mol. Its IUPAC name is (NE)-N-[(3-phenylcinnolin-6-yl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(3-phenylcinnolin-6-yl)methylidene]hydroxylamine
PubChem CID170578075
Molecular FormulaC15H11N3O
Molecular Weight249.27 g/mol
Exact Mass249.09
IUPAC Name(NE)-N-[(3-phenylcinnolin-6-yl)methylidene]hydroxylamine
SMILESO/N=C/c1ccc2nnc(-c3ccccc3)cc2c1
InChIInChI=1S/C15H11N3O/c19-16-10-11-6-7-14-13(8-11)9-15(18-17-14)12-4-2-1-3-5-12/h1-10,19H/b16-10+
InChIKeyPPKFVECWTDHDIH-MHWRWJLKSA-N
XLogP3.10
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 53.10
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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Related Compounds

(NE)-N-(quinazolin-6-ylmethylidene)hydroxylamine
CID 119083203
N-(azulen-6-ylmethylidene)hydroxylamine
CID 73184151
(NE)-N-[[4-(1,2,2-triphenylethenyl)phenyl]methylidene]hydroxylamine
CID 170551705
(NZ)-N-benzylidenehydroxylamine;ethane
CID 91038836
3-cinnolin-3-ylcinnoline
CID 12908797
N-benzylidenehydroxylamine;ethane
CID 90698406
N-(1,2-benzothiazol-5-ylmethylidene)hydroxylamine
CID 131845316
(NE)-N-[(6-bromo-4-phenylquinazolin-2-yl)methylidene]hydroxylamine
CID 135570543
N-(4-phenylphenyl)-1-quinolin-6-ylmethanimine
CID 2443754
N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-4,6-diphenylpyrimidin-2-amine
CID 5338271
N-[(3,4-dimethoxyphenyl)methylideneamino]-N-methyl-4,6-diphenylpyrimidin-2-amine
CID 2837773
1-(3,4-dimethoxyphenyl)-N-(4-phenyl-1,3-thiazol-2-yl)methanimine
CID 35580173

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(3-phenylcinnolin-6-yl)methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(3-phenylcinnolin-6-yl)methylidene]hydroxylamine (CID 170578075) is (NE)-N-[(3-phenylcinnolin-6-yl)methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(3-phenylcinnolin-6-yl)methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(3-phenylcinnolin-6-yl)methylidene]hydroxylamine is O/N=C/c1ccc2nnc(-c3ccccc3)cc2c1.
What is the InChIKey of (NE)-N-[(3-phenylcinnolin-6-yl)methylidene]hydroxylamine?
The InChIKey is PPKFVECWTDHDIH-MHWRWJLKSA-N. The full InChI is InChI=1S/C15H11N3O/c19-16-10-11-6-7-14-13(8-11)9-15(18-17-14)12-4-2-1-3-5-12/h1-10,19H/b16-10+.
What are the key properties of (NE)-N-[(3-phenylcinnolin-6-yl)methylidene]hydroxylamine?
(NE)-N-[(3-phenylcinnolin-6-yl)methylidene]hydroxylamine has a molecular weight of 249.27 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(3-phenylcinnolin-6-yl)methylidene]hydroxylamine is sourced from PubChem (CID 170578075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).