4,5-dihydroxy-3-[(Z)-prop-1-enyl]cyclopent-2-en-1-one

C8H10O3 — CID 21140778

IUPAC4,5-dihydroxy-3-[(Z)-prop-1-enyl]cyclopent-2-en-1-one
SMILESC/C=C\C1=CC(=O)C(O)C1O
InChIInChI=1S/C8H10O3/c1-2-3-5-4-6(9)8(11)7(5)10/h2-4,7-8,10-11H,1H3/b3-2-
InChIKeyMHOOPNKRBMHHEC-IHWYPQMZSA-N
MW154.16 g/mol
LogP-0.21
Rot. Bonds1

About 4,5-dihydroxy-3-[(Z)-prop-1-enyl]cyclopent-2-en-1-one

4,5-dihydroxy-3-[(Z)-prop-1-enyl]cyclopent-2-en-1-one (PubChem CID 21140778) has the molecular formula C8H10O3 and a molecular weight of 154.16 g/mol. Its IUPAC name is 4,5-dihydroxy-3-[(Z)-prop-1-enyl]cyclopent-2-en-1-one.

Molecular Properties

Compound Name4,5-dihydroxy-3-[(Z)-prop-1-enyl]cyclopent-2-en-1-one
PubChem CID21140778
Molecular FormulaC8H10O3
Molecular Weight154.16 g/mol
Exact Mass154.06
IUPAC Name4,5-dihydroxy-3-[(Z)-prop-1-enyl]cyclopent-2-en-1-one
SMILESC/C=C\C1=CC(=O)C(O)C1O
InChIInChI=1S/C8H10O3/c1-2-3-5-4-6(9)8(11)7(5)10/h2-4,7-8,10-11H,1H3/b3-2-
InChIKeyMHOOPNKRBMHHEC-IHWYPQMZSA-N
XLogP-0.21
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.16
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-dihydroxy-3-[(Z)-prop-1-enyl]cyclopent-2-en-1-one?
The IUPAC name of 4,5-dihydroxy-3-[(Z)-prop-1-enyl]cyclopent-2-en-1-one (CID 21140778) is 4,5-dihydroxy-3-[(Z)-prop-1-enyl]cyclopent-2-en-1-one.
What is the SMILES notation for 4,5-dihydroxy-3-[(Z)-prop-1-enyl]cyclopent-2-en-1-one?
The canonical SMILES for 4,5-dihydroxy-3-[(Z)-prop-1-enyl]cyclopent-2-en-1-one is C/C=C\C1=CC(=O)C(O)C1O.
What is the InChIKey of 4,5-dihydroxy-3-[(Z)-prop-1-enyl]cyclopent-2-en-1-one?
The InChIKey is MHOOPNKRBMHHEC-IHWYPQMZSA-N. The full InChI is InChI=1S/C8H10O3/c1-2-3-5-4-6(9)8(11)7(5)10/h2-4,7-8,10-11H,1H3/b3-2-.
What are the key properties of 4,5-dihydroxy-3-[(Z)-prop-1-enyl]cyclopent-2-en-1-one?
4,5-dihydroxy-3-[(Z)-prop-1-enyl]cyclopent-2-en-1-one has a molecular weight of 154.16 g/mol, XLogP of -0.21, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydroxy-3-[(Z)-prop-1-enyl]cyclopent-2-en-1-one is sourced from PubChem (CID 21140778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).