(NE)-N-(7-ethyl-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine

C12H15NO — CID 12699412

IUPAC(NE)-N-(7-ethyl-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine
SMILESCCc1ccc2c(c1)/C(=N/O)CCC2
InChIInChI=1S/C12H15NO/c1-2-9-6-7-10-4-3-5-12(13-14)11(10)8-9/h6-8,14H,2-5H2,1H3/b13-12+
InChIKeyZOJPOMFNXNLJMU-OUKQBFOZSA-N
MW189.26 g/mol
LogP2.76
Rot. Bonds1

About (NE)-N-(7-ethyl-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine

(NE)-N-(7-ethyl-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine (PubChem CID 12699412) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is (NE)-N-(7-ethyl-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(7-ethyl-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine
PubChem CID12699412
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name(NE)-N-(7-ethyl-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine
SMILESCCc1ccc2c(c1)/C(=N/O)CCC2
InChIInChI=1S/C12H15NO/c1-2-9-6-7-10-4-3-5-12(13-14)11(10)8-9/h6-8,14H,2-5H2,1H3/b13-12+
InChIKeyZOJPOMFNXNLJMU-OUKQBFOZSA-N
XLogP2.76
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.76
H-Bond Donors ≤ 51
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-(7-ethyl-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine?
The IUPAC name of (NE)-N-(7-ethyl-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine (CID 12699412) is (NE)-N-(7-ethyl-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine.
What is the SMILES notation for (NE)-N-(7-ethyl-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine?
The canonical SMILES for (NE)-N-(7-ethyl-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine is CCc1ccc2c(c1)/C(=N/O)CCC2.
What is the InChIKey of (NE)-N-(7-ethyl-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine?
The InChIKey is ZOJPOMFNXNLJMU-OUKQBFOZSA-N. The full InChI is InChI=1S/C12H15NO/c1-2-9-6-7-10-4-3-5-12(13-14)11(10)8-9/h6-8,14H,2-5H2,1H3/b13-12+.
What are the key properties of (NE)-N-(7-ethyl-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine?
(NE)-N-(7-ethyl-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine has a molecular weight of 189.26 g/mol, XLogP of 2.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(7-ethyl-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine is sourced from PubChem (CID 12699412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).