CID 11051082

C10H12N2W2 — CID 11051082

IUPAC—
SMILESCN(C)C(=[W])C#CC#CC(=[W])N(C)C
InChIInChI=1S/C10H12N2.2W/c1-11(2)9-7-5-6-8-10-12(3)4;;/h1-4H3;;
InChIKeyCADNXHPZGBSADS-UHFFFAOYSA-N
MW527.90 g/mol
LogP-0.53
Rot. Bonds2

About CID 11051082

CID 11051082 (PubChem CID 11051082) has the molecular formula C10H12N2W2 and a molecular weight of 527.90 g/mol.

Molecular Properties

Compound NameCID 11051082
PubChem CID11051082
Molecular FormulaC10H12N2W2
Molecular Weight527.90 g/mol
Exact Mass528.00
IUPAC Name—
SMILESCN(C)C(=[W])C#CC#CC(=[W])N(C)C
InChIInChI=1S/C10H12N2.2W/c1-11(2)9-7-5-6-8-10-12(3)4;;/h1-4H3;;
InChIKeyCADNXHPZGBSADS-UHFFFAOYSA-N
XLogP-0.53
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.90
LogP ≤ 5-0.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 11051082?
The IUPAC name of CID 11051082 (CID 11051082) is not available.
What is the SMILES notation for CID 11051082?
The canonical SMILES for CID 11051082 is CN(C)C(=[W])C#CC#CC(=[W])N(C)C.
What is the InChIKey of CID 11051082?
The InChIKey is CADNXHPZGBSADS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2.2W/c1-11(2)9-7-5-6-8-10-12(3)4;;/h1-4H3;;.
What are the key properties of CID 11051082?
CID 11051082 has a molecular weight of 527.90 g/mol, XLogP of -0.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11051082 is sourced from PubChem (CID 11051082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).