CID 100984024

C4H8O+ — CID 100984024

IUPAC—
SMILES[CH2+]CCC[O]
InChIInChI=1S/C4H8O/c1-2-3-4-5/h1-4H2/q+1
InChIKeyFEQBSYDBUQCQHQ-UHFFFAOYSA-N
MW72.11 g/mol
LogP1.03
Rot. Bonds2

About CID 100984024

CID 100984024 (PubChem CID 100984024) has the molecular formula C4H8O+ and a molecular weight of 72.11 g/mol.

Molecular Properties

Compound NameCID 100984024
PubChem CID100984024
Molecular FormulaC4H8O+
Molecular Weight72.11 g/mol
Exact Mass72.06
IUPAC Name—
SMILES[CH2+]CCC[O]
InChIInChI=1S/C4H8O/c1-2-3-4-5/h1-4H2/q+1
InChIKeyFEQBSYDBUQCQHQ-UHFFFAOYSA-N
XLogP1.03
TPSA19.90 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50072.11
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 100984024?
The IUPAC name of CID 100984024 (CID 100984024) is not available.
What is the SMILES notation for CID 100984024?
The canonical SMILES for CID 100984024 is [CH2+]CCC[O].
What is the InChIKey of CID 100984024?
The InChIKey is FEQBSYDBUQCQHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O/c1-2-3-4-5/h1-4H2/q+1.
What are the key properties of CID 100984024?
CID 100984024 has a molecular weight of 72.11 g/mol, XLogP of 1.03, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 100984024 is sourced from PubChem (CID 100984024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).