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

C10H11NO — CID 5483123

IUPAC(NE)-N-(3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine
SMILESO/N=C1\CCCc2ccccc21
InChIInChI=1S/C10H11NO/c12-11-10-7-3-5-8-4-1-2-6-9(8)10/h1-2,4,6,12H,3,5,7H2/b11-10+
InChIKeyYFDVQUUMKXZPLK-ZHACJKMWSA-N
MW161.20 g/mol
LogP2.20
Rot. Bonds

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

(NE)-N-(3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine (PubChem CID 5483123) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is (NE)-N-(3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine
PubChem CID5483123
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Name(NE)-N-(3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine
SMILESO/N=C1\CCCc2ccccc21
InChIInChI=1S/C10H11NO/c12-11-10-7-3-5-8-4-1-2-6-9(8)10/h1-2,4,6,12H,3,5,7H2/b11-10+
InChIKeyYFDVQUUMKXZPLK-ZHACJKMWSA-N
XLogP2.20
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 52.20
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-(3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine?
The IUPAC name of (NE)-N-(3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine (CID 5483123) is (NE)-N-(3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine.
What is the SMILES notation for (NE)-N-(3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine?
The canonical SMILES for (NE)-N-(3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine is O/N=C1\CCCc2ccccc21.
What is the InChIKey of (NE)-N-(3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine?
The InChIKey is YFDVQUUMKXZPLK-ZHACJKMWSA-N. The full InChI is InChI=1S/C10H11NO/c12-11-10-7-3-5-8-4-1-2-6-9(8)10/h1-2,4,6,12H,3,5,7H2/b11-10+.
What are the key properties of (NE)-N-(3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine?
(NE)-N-(3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine has a molecular weight of 161.20 g/mol, XLogP of 2.20, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine is sourced from PubChem (CID 5483123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).