ethane;N-[(E)-(2-hydroxyphenyl)methylideneamino]formamide;tin(4+)

C12H20N2O2Sn+4 — CID 135860591

IUPACethane;N-[(E)-(2-hydroxyphenyl)methylideneamino]formamide;tin(4+)
SMILESCC.CC.O=CN/N=C/c1ccccc1O.[Sn+4]
InChIInChI=1S/C8H8N2O2.2C2H6.Sn/c11-6-10-9-5-7-3-1-2-4-8(7)12;2*1-2;/h1-6,12H,(H,10,11);2*1-2H3;/q;;;+4/b9-5+;;;
InChIKeyKGCHJZAJHGKHKP-GONNCMOWSA-N
MW343.02 g/mol
LogP2.14
Rot. Bonds3

About ethane;N-[(E)-(2-hydroxyphenyl)methylideneamino]formamide;tin(4+)

ethane;N-[(E)-(2-hydroxyphenyl)methylideneamino]formamide;tin(4+) (PubChem CID 135860591) has the molecular formula C12H20N2O2Sn+4 and a molecular weight of 343.02 g/mol. Its IUPAC name is ethane;N-[(E)-(2-hydroxyphenyl)methylideneamino]formamide;tin(4+).

Molecular Properties

Compound Nameethane;N-[(E)-(2-hydroxyphenyl)methylideneamino]formamide;tin(4+)
PubChem CID135860591
Molecular FormulaC12H20N2O2Sn+4
Molecular Weight343.02 g/mol
Exact Mass344.05
IUPAC Nameethane;N-[(E)-(2-hydroxyphenyl)methylideneamino]formamide;tin(4+)
SMILESCC.CC.O=CN/N=C/c1ccccc1O.[Sn+4]
InChIInChI=1S/C8H8N2O2.2C2H6.Sn/c11-6-10-9-5-7-3-1-2-4-8(7)12;2*1-2;/h1-6,12H,(H,10,11);2*1-2H3;/q;;;+4/b9-5+;;;
InChIKeyKGCHJZAJHGKHKP-GONNCMOWSA-N
XLogP2.14
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.02
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_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 ethane;N-[(E)-(2-hydroxyphenyl)methylideneamino]formamide;tin(4+)?
The IUPAC name of ethane;N-[(E)-(2-hydroxyphenyl)methylideneamino]formamide;tin(4+) (CID 135860591) is ethane;N-[(E)-(2-hydroxyphenyl)methylideneamino]formamide;tin(4+).
What is the SMILES notation for ethane;N-[(E)-(2-hydroxyphenyl)methylideneamino]formamide;tin(4+)?
The canonical SMILES for ethane;N-[(E)-(2-hydroxyphenyl)methylideneamino]formamide;tin(4+) is CC.CC.O=CN/N=C/c1ccccc1O.[Sn+4].
What is the InChIKey of ethane;N-[(E)-(2-hydroxyphenyl)methylideneamino]formamide;tin(4+)?
The InChIKey is KGCHJZAJHGKHKP-GONNCMOWSA-N. The full InChI is InChI=1S/C8H8N2O2.2C2H6.Sn/c11-6-10-9-5-7-3-1-2-4-8(7)12;2*1-2;/h1-6,12H,(H,10,11);2*1-2H3;/q;;;+4/b9-5+;;;.
What are the key properties of ethane;N-[(E)-(2-hydroxyphenyl)methylideneamino]formamide;tin(4+)?
ethane;N-[(E)-(2-hydroxyphenyl)methylideneamino]formamide;tin(4+) has a molecular weight of 343.02 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(E)-(2-hydroxyphenyl)methylideneamino]formamide;tin(4+) is sourced from PubChem (CID 135860591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).