(5S)-5-ethenyl-5-hydroxy-3-methoxycyclopent-2-en-1-one

C8H10O3 — CID 163188885

IUPAC(5S)-5-ethenyl-5-hydroxy-3-methoxycyclopent-2-en-1-one
SMILESC=C[C@@]1(O)CC(OC)=CC1=O
InChIInChI=1S/C8H10O3/c1-3-8(10)5-6(11-2)4-7(8)9/h3-4,10H,1,5H2,2H3/t8-/m1/s1
InChIKeyDXODJUXMNZSTFU-MRVPVSSYSA-N
MW154.16 g/mol
LogP0.41
Rot. Bonds2

About (5S)-5-ethenyl-5-hydroxy-3-methoxycyclopent-2-en-1-one

(5S)-5-ethenyl-5-hydroxy-3-methoxycyclopent-2-en-1-one (PubChem CID 163188885) has the molecular formula C8H10O3 and a molecular weight of 154.16 g/mol. Its IUPAC name is (5S)-5-ethenyl-5-hydroxy-3-methoxycyclopent-2-en-1-one.

Molecular Properties

Compound Name(5S)-5-ethenyl-5-hydroxy-3-methoxycyclopent-2-en-1-one
PubChem CID163188885
Molecular FormulaC8H10O3
Molecular Weight154.16 g/mol
Exact Mass154.06
IUPAC Name(5S)-5-ethenyl-5-hydroxy-3-methoxycyclopent-2-en-1-one
SMILESC=C[C@@]1(O)CC(OC)=CC1=O
InChIInChI=1S/C8H10O3/c1-3-8(10)5-6(11-2)4-7(8)9/h3-4,10H,1,5H2,2H3/t8-/m1/s1
InChIKeyDXODJUXMNZSTFU-MRVPVSSYSA-N
XLogP0.41
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.16
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-ethenyl-5-hydroxy-2,3-dimethylcyclopent-2-en-1-one
CID 14643737
3-methoxy-5-methyl-6,6-bis(3-methylbut-2-enyl)cyclohex-2-en-1-one
CID 11369428
2-ethenyl-5-methoxycyclohexa-2,4-dien-1-one
CID 19702350
(6S)-6-(2-bromoprop-2-enyl)-6-[(3S)-3-hydroxy-4-methylpentyl]-3-methoxycyclohex-2-en-1-one
CID 57333611
5-but-3-enyl-3-methoxycyclopent-2-en-1-one
CID 25227873
4,5-dihydroxy-3-methoxy-5-methylcyclohex-2-en-1-one
CID 72828494
5-but-3-enyl-3-methoxycyclohex-2-en-1-one
CID 12836528
3-amino-2-bromo-5-ethenyl-5-hydroxycyclopent-2-en-1-one
CID 76764632
5-ethenyl-8-methoxy-3,4-dihydro-2H-1-benzothiepin-5-ol
CID 165353897
methyl 4-methoxy-1-[(2-nitrophenyl)methyl]-2-oxocyclopent-3-ene-1-carboxylate
CID 44541711
3-methoxy(213C)cyclohex-2-en-1-one
CID 11789224
(4-methoxy-6,6-dimethyl-2-oxocyclohex-3-en-1-yl) 2-chloropropanoate
CID 14810167

Frequently Asked Questions

What is the IUPAC name of (5S)-5-ethenyl-5-hydroxy-3-methoxycyclopent-2-en-1-one?
The IUPAC name of (5S)-5-ethenyl-5-hydroxy-3-methoxycyclopent-2-en-1-one (CID 163188885) is (5S)-5-ethenyl-5-hydroxy-3-methoxycyclopent-2-en-1-one.
What is the SMILES notation for (5S)-5-ethenyl-5-hydroxy-3-methoxycyclopent-2-en-1-one?
The canonical SMILES for (5S)-5-ethenyl-5-hydroxy-3-methoxycyclopent-2-en-1-one is C=C[C@@]1(O)CC(OC)=CC1=O.
What is the InChIKey of (5S)-5-ethenyl-5-hydroxy-3-methoxycyclopent-2-en-1-one?
The InChIKey is DXODJUXMNZSTFU-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H10O3/c1-3-8(10)5-6(11-2)4-7(8)9/h3-4,10H,1,5H2,2H3/t8-/m1/s1.
What are the key properties of (5S)-5-ethenyl-5-hydroxy-3-methoxycyclopent-2-en-1-one?
(5S)-5-ethenyl-5-hydroxy-3-methoxycyclopent-2-en-1-one has a molecular weight of 154.16 g/mol, XLogP of 0.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-ethenyl-5-hydroxy-3-methoxycyclopent-2-en-1-one is sourced from PubChem (CID 163188885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).