CID 87477723

C7H14NOSe — CID 87477723

IUPAC—
SMILESCC(C)N(C(=O)[Se])C(C)C
InChIInChI=1S/C7H14NOSe/c1-5(2)8(6(3)4)7(9)10/h5-6H,1-4H3
InChIKeyRFHMPKVSOYJAQQ-UHFFFAOYSA-N
MW207.15 g/mol
LogP1.39
Rot. Bonds2

About CID 87477723

CID 87477723 (PubChem CID 87477723) has the molecular formula C7H14NOSe and a molecular weight of 207.15 g/mol.

Molecular Properties

Compound NameCID 87477723
PubChem CID87477723
Molecular FormulaC7H14NOSe
Molecular Weight207.15 g/mol
Exact Mass208.02
IUPAC Name—
SMILESCC(C)N(C(=O)[Se])C(C)C
InChIInChI=1S/C7H14NOSe/c1-5(2)8(6(3)4)7(9)10/h5-6H,1-4H3
InChIKeyRFHMPKVSOYJAQQ-UHFFFAOYSA-N
XLogP1.39
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.15
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze CID 87477723 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 87477723?
The IUPAC name of CID 87477723 (CID 87477723) is not available.
What is the SMILES notation for CID 87477723?
The canonical SMILES for CID 87477723 is CC(C)N(C(=O)[Se])C(C)C.
What is the InChIKey of CID 87477723?
The InChIKey is RFHMPKVSOYJAQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14NOSe/c1-5(2)8(6(3)4)7(9)10/h5-6H,1-4H3.
What are the key properties of CID 87477723?
CID 87477723 has a molecular weight of 207.15 g/mol, XLogP of 1.39, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87477723 is sourced from PubChem (CID 87477723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).