CID 102189662

C5H5O2 — CID 102189662

IUPAC—
SMILES[O]C1=C=CCCO1
InChIInChI=1S/C5H5O2/c6-5-3-1-2-4-7-5/h1H,2,4H2
InChIKeyFQGKPLBLMMILRL-UHFFFAOYSA-N
MW97.09 g/mol
LogP0.83
Rot. Bonds

About CID 102189662

CID 102189662 (PubChem CID 102189662) has the molecular formula C5H5O2 and a molecular weight of 97.09 g/mol.

Molecular Properties

Compound NameCID 102189662
PubChem CID102189662
Molecular FormulaC5H5O2
Molecular Weight97.09 g/mol
Exact Mass97.03
IUPAC Name—
SMILES[O]C1=C=CCCO1
InChIInChI=1S/C5H5O2/c6-5-3-1-2-4-7-5/h1H,2,4H2
InChIKeyFQGKPLBLMMILRL-UHFFFAOYSA-N
XLogP0.83
TPSA29.13 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.09
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of CID 102189662?
The IUPAC name of CID 102189662 (CID 102189662) is not available.
What is the SMILES notation for CID 102189662?
The canonical SMILES for CID 102189662 is [O]C1=C=CCCO1.
What is the InChIKey of CID 102189662?
The InChIKey is FQGKPLBLMMILRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5O2/c6-5-3-1-2-4-7-5/h1H,2,4H2.
What are the key properties of CID 102189662?
CID 102189662 has a molecular weight of 97.09 g/mol, XLogP of 0.83, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 102189662 is sourced from PubChem (CID 102189662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).