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

C8H10O3 — CID 5372499

IUPAC4,5-dihydroxy-3-[(E)-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-NSCUHMNNSA-N
MW154.16 g/mol
LogP-0.21
Rot. Bonds1

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

4,5-dihydroxy-3-[(E)-prop-1-enyl]cyclopent-2-en-1-one (PubChem CID 5372499) has the molecular formula C8H10O3 and a molecular weight of 154.16 g/mol. Its IUPAC name is 4,5-dihydroxy-3-[(E)-prop-1-enyl]cyclopent-2-en-1-one.

Molecular Properties

Compound Name4,5-dihydroxy-3-[(E)-prop-1-enyl]cyclopent-2-en-1-one
PubChem CID5372499
Molecular FormulaC8H10O3
Molecular Weight154.16 g/mol
Exact Mass154.06
IUPAC Name4,5-dihydroxy-3-[(E)-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-NSCUHMNNSA-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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Related Compounds

(4R,5S)-4,5-dihydroxy-3-[(E)-prop-1-enyl]cyclopent-2-en-1-one
CID 12443340
Terrein
CID 6436830
(4S)-4-Hydroxy-3-methyl-2-(2Z)-2,4-pentadien-1-yl-2-cyclopenten-1-one
CID 11789781
Dihydroterrein
CID 11040921
sandensone A
CID 118736329
2-(1-Chloro-1-propenyl)-4,5-dihydroxycyclopent-2-enone
CID 9990040
(4R,5S)-4,5-dihydroxy-3-methylcyclopent-2-en-1-one
CID 15098266
4,5-Dihydroxy-3-prop-1-enylcyclopent-2-en-1-one
CID 324799
Trichoderone
CID 44820524
7-Hydroxy-4-propan-2-ylcyclohepta-3,5-diene-1,2-dione
CID 72200013
4,5-Dihydroxy-3-propylcyclopent-2-EN-1-one
CID 23902334
Isoterrein
CID 10909778

Frequently Asked Questions

What is the IUPAC name of 4,5-dihydroxy-3-[(E)-prop-1-enyl]cyclopent-2-en-1-one?
The IUPAC name of 4,5-dihydroxy-3-[(E)-prop-1-enyl]cyclopent-2-en-1-one (CID 5372499) is 4,5-dihydroxy-3-[(E)-prop-1-enyl]cyclopent-2-en-1-one.
What is the SMILES notation for 4,5-dihydroxy-3-[(E)-prop-1-enyl]cyclopent-2-en-1-one?
The canonical SMILES for 4,5-dihydroxy-3-[(E)-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-[(E)-prop-1-enyl]cyclopent-2-en-1-one?
The InChIKey is MHOOPNKRBMHHEC-NSCUHMNNSA-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-[(E)-prop-1-enyl]cyclopent-2-en-1-one?
4,5-dihydroxy-3-[(E)-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-[(E)-prop-1-enyl]cyclopent-2-en-1-one is sourced from PubChem (CID 5372499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).