CID 163837414

C5H6O2U — CID 163837414

IUPAC—
SMILESO=[C-]CCC1[CH-]O1.[U+2]
InChIInChI=1S/C5H6O2.U/c6-3-1-2-5-4-7-5;/h4-5H,1-2H2;/q-2;+2
InChIKeyDNMSAIKTMZQLDN-UHFFFAOYSA-N
MW336.13 g/mol
LogP0.44
Rot. Bonds3

About CID 163837414

CID 163837414 (PubChem CID 163837414) has the molecular formula C5H6O2U and a molecular weight of 336.13 g/mol.

Molecular Properties

Compound NameCID 163837414
PubChem CID163837414
Molecular FormulaC5H6O2U
Molecular Weight336.13 g/mol
Exact Mass336.09
IUPAC Name—
SMILESO=[C-]CCC1[CH-]O1.[U+2]
InChIInChI=1S/C5H6O2.U/c6-3-1-2-5-4-7-5;/h4-5H,1-2H2;/q-2;+2
InChIKeyDNMSAIKTMZQLDN-UHFFFAOYSA-N
XLogP0.44
TPSA29.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.13
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 163837414?
The IUPAC name of CID 163837414 (CID 163837414) is not available.
What is the SMILES notation for CID 163837414?
The canonical SMILES for CID 163837414 is O=[C-]CCC1[CH-]O1.[U+2].
What is the InChIKey of CID 163837414?
The InChIKey is DNMSAIKTMZQLDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6O2.U/c6-3-1-2-5-4-7-5;/h4-5H,1-2H2;/q-2;+2.
What are the key properties of CID 163837414?
CID 163837414 has a molecular weight of 336.13 g/mol, XLogP of 0.44, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 163837414 is sourced from PubChem (CID 163837414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).