2-hydroxycyclopenta-2,4-dien-1-one

C5H4O2 — CID 59881129

IUPAC2-hydroxycyclopenta-2,4-dien-1-one
SMILESO=C1C=CC=C1O
InChIInChI=1S/C5H4O2/c6-4-2-1-3-5(4)7/h1-3H,(H,6,7)
InChIKeySFCQDZQJQMRZSU-UHFFFAOYSA-N
MW96.08 g/mol
LogP0.57
Rot. Bonds

About 2-hydroxycyclopenta-2,4-dien-1-one

2-hydroxycyclopenta-2,4-dien-1-one (PubChem CID 59881129) has the molecular formula C5H4O2 and a molecular weight of 96.08 g/mol. Its IUPAC name is 2-hydroxycyclopenta-2,4-dien-1-one.

Molecular Properties

Compound Name2-hydroxycyclopenta-2,4-dien-1-one
PubChem CID59881129
Molecular FormulaC5H4O2
Molecular Weight96.08 g/mol
Exact Mass96.02
IUPAC Name2-hydroxycyclopenta-2,4-dien-1-one
SMILESO=C1C=CC=C1O
InChIInChI=1S/C5H4O2/c6-4-2-1-3-5(4)7/h1-3H,(H,6,7)
InChIKeySFCQDZQJQMRZSU-UHFFFAOYSA-N
XLogP0.57
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.08
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxycyclopenta-2,4-dien-1-one?
The IUPAC name of 2-hydroxycyclopenta-2,4-dien-1-one (CID 59881129) is 2-hydroxycyclopenta-2,4-dien-1-one.
What is the SMILES notation for 2-hydroxycyclopenta-2,4-dien-1-one?
The canonical SMILES for 2-hydroxycyclopenta-2,4-dien-1-one is O=C1C=CC=C1O.
What is the InChIKey of 2-hydroxycyclopenta-2,4-dien-1-one?
The InChIKey is SFCQDZQJQMRZSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4O2/c6-4-2-1-3-5(4)7/h1-3H,(H,6,7).
What are the key properties of 2-hydroxycyclopenta-2,4-dien-1-one?
2-hydroxycyclopenta-2,4-dien-1-one has a molecular weight of 96.08 g/mol, XLogP of 0.57, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxycyclopenta-2,4-dien-1-one is sourced from PubChem (CID 59881129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).