CID 59090927

C5H6O2 — CID 59090927

IUPAC—
SMILES[CH]C(=O)/C=C/OC
InChIInChI=1S/C5H6O2/c1-5(6)3-4-7-2/h1,3-4H,2H3/b4-3+
InChIKeyMJIBFILXZIIAEP-ONEGZZNKSA-N
MW98.10 g/mol
LogP0.43
Rot. Bonds2

About CID 59090927

CID 59090927 (PubChem CID 59090927) has the molecular formula C5H6O2 and a molecular weight of 98.10 g/mol.

Molecular Properties

Compound NameCID 59090927
PubChem CID59090927
Molecular FormulaC5H6O2
Molecular Weight98.10 g/mol
Exact Mass98.04
IUPAC Name—
SMILES[CH]C(=O)/C=C/OC
InChIInChI=1S/C5H6O2/c1-5(6)3-4-7-2/h1,3-4H,2H3/b4-3+
InChIKeyMJIBFILXZIIAEP-ONEGZZNKSA-N
XLogP0.43
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.10
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 59090927?
The IUPAC name of CID 59090927 (CID 59090927) is not available.
What is the SMILES notation for CID 59090927?
The canonical SMILES for CID 59090927 is [CH]C(=O)/C=C/OC.
What is the InChIKey of CID 59090927?
The InChIKey is MJIBFILXZIIAEP-ONEGZZNKSA-N. The full InChI is InChI=1S/C5H6O2/c1-5(6)3-4-7-2/h1,3-4H,2H3/b4-3+.
What are the key properties of CID 59090927?
CID 59090927 has a molecular weight of 98.10 g/mol, XLogP of 0.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59090927 is sourced from PubChem (CID 59090927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).