(NE)-N-[(1-aminonaphthalen-2-yl)methylidene]hydroxylamine

C11H10N2O — CID 15261160

IUPAC(NE)-N-[(1-aminonaphthalen-2-yl)methylidene]hydroxylamine
SMILESNc1c(/C=N/O)ccc2ccccc12
InChIInChI=1S/C11H10N2O/c12-11-9(7-13-14)6-5-8-3-1-2-4-10(8)11/h1-7,14H,12H2/b13-7+
InChIKeyNYLJJCQOUCQDMW-NTUHNPAUSA-N
MW186.21 g/mol
LogP2.23
Rot. Bonds1

About (NE)-N-[(1-aminonaphthalen-2-yl)methylidene]hydroxylamine

(NE)-N-[(1-aminonaphthalen-2-yl)methylidene]hydroxylamine (PubChem CID 15261160) has the molecular formula C11H10N2O and a molecular weight of 186.21 g/mol. Its IUPAC name is (NE)-N-[(1-aminonaphthalen-2-yl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(1-aminonaphthalen-2-yl)methylidene]hydroxylamine
PubChem CID15261160
Molecular FormulaC11H10N2O
Molecular Weight186.21 g/mol
Exact Mass186.08
IUPAC Name(NE)-N-[(1-aminonaphthalen-2-yl)methylidene]hydroxylamine
SMILESNc1c(/C=N/O)ccc2ccccc12
InChIInChI=1S/C11H10N2O/c12-11-9(7-13-14)6-5-8-3-1-2-4-10(8)11/h1-7,14H,12H2/b13-7+
InChIKeyNYLJJCQOUCQDMW-NTUHNPAUSA-N
XLogP2.23
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'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-[(5-aminoquinolin-6-yl)methylidene]hydroxylamine
CID 11805473
1-[(E)-hydroxyiminomethyl]naphthalen-2-ol
CID 135400485
N-(pyren-4-ylmethylidene)hydroxylamine
CID 3722226
(NZ)-N-(anthracen-9-ylmethylidene)hydroxylamine
CID 5355154
(NE)-N-(anthracen-1-ylmethylidene)hydroxylamine
CID 12008629
N-[(2-methoxynaphthalen-1-yl)methylidene]hydroxylamine
CID 708036
2-bromonaphthalen-1-amine
CID 10889478
N-(acridin-9-ylmethylidene)hydroxylamine
CID 173111257
1-aminonaphthalene-2-carbonyl iodide
CID 89199077
copper 2-[(E)-hydroxyiminomethyl]phenol
CID 135422084
cobalt;bis(2-(hydroxyiminomethyl)phenol)
CID 158420458
4-methylnaphthalene-1-carbaldehyde;(NE)-N-[(4-methylnaphthalen-1-yl)methylidene]hydroxylamine
CID 158869252

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(1-aminonaphthalen-2-yl)methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(1-aminonaphthalen-2-yl)methylidene]hydroxylamine (CID 15261160) is (NE)-N-[(1-aminonaphthalen-2-yl)methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(1-aminonaphthalen-2-yl)methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(1-aminonaphthalen-2-yl)methylidene]hydroxylamine is Nc1c(/C=N/O)ccc2ccccc12.
What is the InChIKey of (NE)-N-[(1-aminonaphthalen-2-yl)methylidene]hydroxylamine?
The InChIKey is NYLJJCQOUCQDMW-NTUHNPAUSA-N. The full InChI is InChI=1S/C11H10N2O/c12-11-9(7-13-14)6-5-8-3-1-2-4-10(8)11/h1-7,14H,12H2/b13-7+.
What are the key properties of (NE)-N-[(1-aminonaphthalen-2-yl)methylidene]hydroxylamine?
(NE)-N-[(1-aminonaphthalen-2-yl)methylidene]hydroxylamine has a molecular weight of 186.21 g/mol, XLogP of 2.23, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(1-aminonaphthalen-2-yl)methylidene]hydroxylamine is sourced from PubChem (CID 15261160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).