CID 158071815

C9H20B2N2Pt — CID 158071815

IUPAC—
SMILESC.C#C.[B][B].[CH2-]CC[N-]CC[NH-].[CH3-].[Pt+4]
InChIInChI=1S/C5H11N2.C2H2.CH4.CH3.B2.Pt/c1-2-4-7-5-3-6;1-2;;;1-2;/h6H,1-5H2;1-2H;1H4;1H3;;/q-3;;;-1;;+4
InChIKeyFEFZPEXQSMYLRO-UHFFFAOYSA-N
MW372.98 g/mol
LogP2.21
Rot. Bonds4

About CID 158071815

CID 158071815 (PubChem CID 158071815) has the molecular formula C9H20B2N2Pt and a molecular weight of 372.98 g/mol.

Molecular Properties

Compound NameCID 158071815
PubChem CID158071815
Molecular FormulaC9H20B2N2Pt
Molecular Weight372.98 g/mol
Exact Mass373.15
IUPAC Name—
SMILESC.C#C.[B][B].[CH2-]CC[N-]CC[NH-].[CH3-].[Pt+4]
InChIInChI=1S/C5H11N2.C2H2.CH4.CH3.B2.Pt/c1-2-4-7-5-3-6;1-2;;;1-2;/h6H,1-5H2;1-2H;1H4;1H3;;/q-3;;;-1;;+4
InChIKeyFEFZPEXQSMYLRO-UHFFFAOYSA-N
XLogP2.21
TPSA37.90 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.98
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 158071815?
The IUPAC name of CID 158071815 (CID 158071815) is not available.
What is the SMILES notation for CID 158071815?
The canonical SMILES for CID 158071815 is C.C#C.[B][B].[CH2-]CC[N-]CC[NH-].[CH3-].[Pt+4].
What is the InChIKey of CID 158071815?
The InChIKey is FEFZPEXQSMYLRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N2.C2H2.CH4.CH3.B2.Pt/c1-2-4-7-5-3-6;1-2;;;1-2;/h6H,1-5H2;1-2H;1H4;1H3;;/q-3;;;-1;;+4.
What are the key properties of CID 158071815?
CID 158071815 has a molecular weight of 372.98 g/mol, XLogP of 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 158071815 is sourced from PubChem (CID 158071815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).