CID 171377962

C17H35NO2Sn — CID 171377962

IUPAC—
SMILESCCCC.CCCC.CCCC.O/N=C/c1ccco1.[Sn]
InChIInChI=1S/C5H5NO2.3C4H10.Sn/c7-6-4-5-2-1-3-8-5;3*1-3-4-2;/h1-4,7H;3*3-4H2,1-2H3;/b6-4+;;;;
InChIKeyYMBIPCNIECYTHJ-MVWLXSBUSA-N
MW404.18 g/mol
LogP6.13
Rot. Bonds4

About CID 171377962

CID 171377962 (PubChem CID 171377962) has the molecular formula C17H35NO2Sn and a molecular weight of 404.18 g/mol.

Molecular Properties

Compound NameCID 171377962
PubChem CID171377962
Molecular FormulaC17H35NO2Sn
Molecular Weight404.18 g/mol
Exact Mass405.17
IUPAC Name—
SMILESCCCC.CCCC.CCCC.O/N=C/c1ccco1.[Sn]
InChIInChI=1S/C5H5NO2.3C4H10.Sn/c7-6-4-5-2-1-3-8-5;3*1-3-4-2;/h1-4,7H;3*3-4H2,1-2H3;/b6-4+;;;;
InChIKeyYMBIPCNIECYTHJ-MVWLXSBUSA-N
XLogP6.13
TPSA45.73 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.18
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 171377962?
The IUPAC name of CID 171377962 (CID 171377962) is not available.
What is the SMILES notation for CID 171377962?
The canonical SMILES for CID 171377962 is CCCC.CCCC.CCCC.O/N=C/c1ccco1.[Sn].
What is the InChIKey of CID 171377962?
The InChIKey is YMBIPCNIECYTHJ-MVWLXSBUSA-N. The full InChI is InChI=1S/C5H5NO2.3C4H10.Sn/c7-6-4-5-2-1-3-8-5;3*1-3-4-2;/h1-4,7H;3*3-4H2,1-2H3;/b6-4+;;;;.
What are the key properties of CID 171377962?
CID 171377962 has a molecular weight of 404.18 g/mol, XLogP of 6.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 171377962 is sourced from PubChem (CID 171377962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).