(NE)-N-(anthracen-1-ylmethylidene)hydroxylamine

C15H11NO — CID 12008629

IUPAC(NE)-N-(anthracen-1-ylmethylidene)hydroxylamine
SMILESO/N=C/c1cccc2cc3ccccc3cc12
InChIInChI=1S/C15H11NO/c17-16-10-14-7-3-6-13-8-11-4-1-2-5-12(11)9-15(13)14/h1-10,17H/b16-10+
InChIKeyCXJVUGRMPMVBQK-MHWRWJLKSA-N
MW221.26 g/mol
LogP3.80
Rot. Bonds1

About (NE)-N-(anthracen-1-ylmethylidene)hydroxylamine

(NE)-N-(anthracen-1-ylmethylidene)hydroxylamine (PubChem CID 12008629) has the molecular formula C15H11NO and a molecular weight of 221.26 g/mol. Its IUPAC name is (NE)-N-(anthracen-1-ylmethylidene)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(anthracen-1-ylmethylidene)hydroxylamine
PubChem CID12008629
Molecular FormulaC15H11NO
Molecular Weight221.26 g/mol
Exact Mass221.08
IUPAC Name(NE)-N-(anthracen-1-ylmethylidene)hydroxylamine
SMILESO/N=C/c1cccc2cc3ccccc3cc12
InChIInChI=1S/C15H11NO/c17-16-10-14-7-3-6-13-8-11-4-1-2-5-12(11)9-15(13)14/h1-10,17H/b16-10+
InChIKeyCXJVUGRMPMVBQK-MHWRWJLKSA-N
XLogP3.80
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 53.80
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'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

(NZ)-N-(anthracen-9-ylmethylidene)hydroxylamine
CID 5355154
1-prop-1-enylanthracene
CID 54542061
3-anthracen-1-ylprop-2-enamide
CID 118453469
N-(pyren-4-ylmethylidene)hydroxylamine
CID 3722226
2-[(E)-2-anthracen-1-ylethenyl]aniline
CID 87879813
3-tetracen-1-ylprop-2-enamide
CID 118453445
(E)-3-anthracen-1-yl-2-methylprop-2-enoic acid
CID 22062621
cobalt;bis(2-(hydroxyiminomethyl)phenol)
CID 158420458
copper 2-[(E)-hydroxyiminomethyl]phenol
CID 135422084
heptacen-1-ol
CID 150633624
1-penta-1,4-dienylanthracene
CID 173210436
1-anthracen-1-yl-N-(2-morpholin-4-ylethyl)methanimine
CID 166769350

Frequently Asked Questions

What is the IUPAC name of (NE)-N-(anthracen-1-ylmethylidene)hydroxylamine?
The IUPAC name of (NE)-N-(anthracen-1-ylmethylidene)hydroxylamine (CID 12008629) is (NE)-N-(anthracen-1-ylmethylidene)hydroxylamine.
What is the SMILES notation for (NE)-N-(anthracen-1-ylmethylidene)hydroxylamine?
The canonical SMILES for (NE)-N-(anthracen-1-ylmethylidene)hydroxylamine is O/N=C/c1cccc2cc3ccccc3cc12.
What is the InChIKey of (NE)-N-(anthracen-1-ylmethylidene)hydroxylamine?
The InChIKey is CXJVUGRMPMVBQK-MHWRWJLKSA-N. The full InChI is InChI=1S/C15H11NO/c17-16-10-14-7-3-6-13-8-11-4-1-2-5-12(11)9-15(13)14/h1-10,17H/b16-10+.
What are the key properties of (NE)-N-(anthracen-1-ylmethylidene)hydroxylamine?
(NE)-N-(anthracen-1-ylmethylidene)hydroxylamine has a molecular weight of 221.26 g/mol, XLogP of 3.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(anthracen-1-ylmethylidene)hydroxylamine is sourced from PubChem (CID 12008629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).