CID 135045227

C5H10NOSe — CID 135045227

IUPAC—
SMILESCN[C@@H](C[Se])C(C)=O
InChIInChI=1S/C5H10NOSe/c1-4(7)5(3-8)6-2/h5-6H,3H2,1-2H3/t5-/m0/s1
InChIKeyPDPGXSVXNPEAEG-YFKPBYRVSA-N
MW179.10 g/mol
LogP-0.25
Rot. Bonds3

About CID 135045227

CID 135045227 (PubChem CID 135045227) has the molecular formula C5H10NOSe and a molecular weight of 179.10 g/mol.

Molecular Properties

Compound NameCID 135045227
PubChem CID135045227
Molecular FormulaC5H10NOSe
Molecular Weight179.10 g/mol
Exact Mass179.99
IUPAC Name—
SMILESCN[C@@H](C[Se])C(C)=O
InChIInChI=1S/C5H10NOSe/c1-4(7)5(3-8)6-2/h5-6H,3H2,1-2H3/t5-/m0/s1
InChIKeyPDPGXSVXNPEAEG-YFKPBYRVSA-N
XLogP-0.25
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.10
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 135045227?
The IUPAC name of CID 135045227 (CID 135045227) is not available.
What is the SMILES notation for CID 135045227?
The canonical SMILES for CID 135045227 is CN[C@@H](C[Se])C(C)=O.
What is the InChIKey of CID 135045227?
The InChIKey is PDPGXSVXNPEAEG-YFKPBYRVSA-N. The full InChI is InChI=1S/C5H10NOSe/c1-4(7)5(3-8)6-2/h5-6H,3H2,1-2H3/t5-/m0/s1.
What are the key properties of CID 135045227?
CID 135045227 has a molecular weight of 179.10 g/mol, XLogP of -0.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 135045227 is sourced from PubChem (CID 135045227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).