carbanide;(NE)-N-[(4-chlorophenyl)methylidene]hydroxylamine;yttrium

C8H9ClNOY- — CID 178127818

IUPACcarbanide;(NE)-N-[(4-chlorophenyl)methylidene]hydroxylamine;yttrium
SMILESO/N=C/c1ccc(Cl)cc1.[CH3-].[Y]
InChIInChI=1S/C7H6ClNO.CH3.Y/c8-7-3-1-6(2-4-7)5-9-10;;/h1-5,10H;1H3;/q;-1;/b9-5+;;
InChIKeyPGFGZRFYSJAFSG-KJDUPKRESA-N
MW259.53 g/mol
LogP2.60
Rot. Bonds1

About carbanide;(NE)-N-[(4-chlorophenyl)methylidene]hydroxylamine;yttrium

carbanide;(NE)-N-[(4-chlorophenyl)methylidene]hydroxylamine;yttrium (PubChem CID 178127818) has the molecular formula C8H9ClNOY- and a molecular weight of 259.53 g/mol. Its IUPAC name is carbanide;(NE)-N-[(4-chlorophenyl)methylidene]hydroxylamine;yttrium.

Molecular Properties

Compound Namecarbanide;(NE)-N-[(4-chlorophenyl)methylidene]hydroxylamine;yttrium
PubChem CID178127818
Molecular FormulaC8H9ClNOY-
Molecular Weight259.53 g/mol
Exact Mass258.94
IUPAC Namecarbanide;(NE)-N-[(4-chlorophenyl)methylidene]hydroxylamine;yttrium
SMILESO/N=C/c1ccc(Cl)cc1.[CH3-].[Y]
InChIInChI=1S/C7H6ClNO.CH3.Y/c8-7-3-1-6(2-4-7)5-9-10;;/h1-5,10H;1H3;/q;-1;/b9-5+;;
InChIKeyPGFGZRFYSJAFSG-KJDUPKRESA-N
XLogP2.60
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.53
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', '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

N-[[4-(4-chlorophenoxy)phenyl]methylidene]hydroxylamine
CID 20987314
(NE)-N-[[4-[(4-chlorophenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 5350180
N-(pyridin-4-ylmethylidene)hydroxylamine
CID 159045467
N-[(4-bromophenyl)methylidene]hydroxylamine
CID 608088
CID 10012124
CID 10012124
4-chloro-N-[(Z)-(4-chlorophenyl)methylideneamino]aniline
CID 5463108
N-[(4-chloro-3-fluorophenyl)methylidene]hydroxylamine;hydrochloride
CID 174826188
N-(azulen-6-ylmethylidene)hydroxylamine
CID 73184151
1-(4-chlorophenyl)-2-[4-(hydroxyiminomethyl)pyridin-1-ium-1-yl]ethanone
CID 137228567
(NZ)-N-[(6-chloro-3-pyridinyl)methylidene]hydroxylamine
CID 55279774
ethene;(NE)-N-(pyridin-4-ylmethylidene)hydroxylamine
CID 143032049
N-[[4-[2,4,5-tris[4-(hydroxyiminomethyl)phenyl]phenyl]phenyl]methylidene]hydroxylamine
CID 135496903

Frequently Asked Questions

What is the IUPAC name of carbanide;(NE)-N-[(4-chlorophenyl)methylidene]hydroxylamine;yttrium?
The IUPAC name of carbanide;(NE)-N-[(4-chlorophenyl)methylidene]hydroxylamine;yttrium (CID 178127818) is carbanide;(NE)-N-[(4-chlorophenyl)methylidene]hydroxylamine;yttrium.
What is the SMILES notation for carbanide;(NE)-N-[(4-chlorophenyl)methylidene]hydroxylamine;yttrium?
The canonical SMILES for carbanide;(NE)-N-[(4-chlorophenyl)methylidene]hydroxylamine;yttrium is O/N=C/c1ccc(Cl)cc1.[CH3-].[Y].
What is the InChIKey of carbanide;(NE)-N-[(4-chlorophenyl)methylidene]hydroxylamine;yttrium?
The InChIKey is PGFGZRFYSJAFSG-KJDUPKRESA-N. The full InChI is InChI=1S/C7H6ClNO.CH3.Y/c8-7-3-1-6(2-4-7)5-9-10;;/h1-5,10H;1H3;/q;-1;/b9-5+;;.
What are the key properties of carbanide;(NE)-N-[(4-chlorophenyl)methylidene]hydroxylamine;yttrium?
carbanide;(NE)-N-[(4-chlorophenyl)methylidene]hydroxylamine;yttrium has a molecular weight of 259.53 g/mol, XLogP of 2.60, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;(NE)-N-[(4-chlorophenyl)methylidene]hydroxylamine;yttrium is sourced from PubChem (CID 178127818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).