CID 159669417

C10H14N2OW2 — CID 159669417

IUPAC—
SMILES[H]/N=C(\C)C(=CC)N(C(=O)C(C)=[W])C(C)=[W]
InChIInChI=1S/C10H14N2O.2W/c1-5-9(8(4)11)12(7-3)10(13)6-2;;/h5,11H,1-4H3;;/b9-5?,11-8+;;
InChIKeyPQWKPUYCHUZHHT-QFTYYABPSA-N
MW545.92 g/mol
LogP1.19
Rot. Bonds4

About CID 159669417

CID 159669417 (PubChem CID 159669417) has the molecular formula C10H14N2OW2 and a molecular weight of 545.92 g/mol.

Molecular Properties

Compound NameCID 159669417
PubChem CID159669417
Molecular FormulaC10H14N2OW2
Molecular Weight545.92 g/mol
Exact Mass546.01
IUPAC Name—
SMILES[H]/N=C(\C)C(=CC)N(C(=O)C(C)=[W])C(C)=[W]
InChIInChI=1S/C10H14N2O.2W/c1-5-9(8(4)11)12(7-3)10(13)6-2;;/h5,11H,1-4H3;;/b9-5?,11-8+;;
InChIKeyPQWKPUYCHUZHHT-QFTYYABPSA-N
XLogP1.19
TPSA44.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500545.92
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 159669417?
The IUPAC name of CID 159669417 (CID 159669417) is not available.
What is the SMILES notation for CID 159669417?
The canonical SMILES for CID 159669417 is [H]/N=C(\C)C(=CC)N(C(=O)C(C)=[W])C(C)=[W].
What is the InChIKey of CID 159669417?
The InChIKey is PQWKPUYCHUZHHT-QFTYYABPSA-N. The full InChI is InChI=1S/C10H14N2O.2W/c1-5-9(8(4)11)12(7-3)10(13)6-2;;/h5,11H,1-4H3;;/b9-5?,11-8+;;.
What are the key properties of CID 159669417?
CID 159669417 has a molecular weight of 545.92 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 159669417 is sourced from PubChem (CID 159669417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).