CID 15891848

C10H12NOSe — CID 15891848

IUPAC—
SMILESCOC(C)/N=C(\[Se])c1ccccc1
InChIInChI=1S/C10H12NOSe/c1-8(12-2)11-10(13)9-6-4-3-5-7-9/h3-8H,1-2H3/b11-10-
InChIKeyXXHSAJUOCZMIKA-KHPPLWFESA-N
MW241.17 g/mol
LogP1.59
Rot. Bonds3

About CID 15891848

CID 15891848 (PubChem CID 15891848) has the molecular formula C10H12NOSe and a molecular weight of 241.17 g/mol.

Molecular Properties

Compound NameCID 15891848
PubChem CID15891848
Molecular FormulaC10H12NOSe
Molecular Weight241.17 g/mol
Exact Mass242.01
IUPAC Name—
SMILESCOC(C)/N=C(\[Se])c1ccccc1
InChIInChI=1S/C10H12NOSe/c1-8(12-2)11-10(13)9-6-4-3-5-7-9/h3-8H,1-2H3/b11-10-
InChIKeyXXHSAJUOCZMIKA-KHPPLWFESA-N
XLogP1.59
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.17
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 15891848?
The IUPAC name of CID 15891848 (CID 15891848) is not available.
What is the SMILES notation for CID 15891848?
The canonical SMILES for CID 15891848 is COC(C)/N=C(\[Se])c1ccccc1.
What is the InChIKey of CID 15891848?
The InChIKey is XXHSAJUOCZMIKA-KHPPLWFESA-N. The full InChI is InChI=1S/C10H12NOSe/c1-8(12-2)11-10(13)9-6-4-3-5-7-9/h3-8H,1-2H3/b11-10-.
What are the key properties of CID 15891848?
CID 15891848 has a molecular weight of 241.17 g/mol, XLogP of 1.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 15891848 is sourced from PubChem (CID 15891848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).