(2-hydroxycyclopenta-2,4-dien-1-yl) 2-methylprop-2-enoate

C9H10O3 — CID 139761746

IUPAC(2-hydroxycyclopenta-2,4-dien-1-yl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1C=CC=C1O
InChIInChI=1S/C9H10O3/c1-6(2)9(11)12-8-5-3-4-7(8)10/h3-5,8,10H,1H2,2H3
InChIKeyVBJCPVODEWMYQJ-UHFFFAOYSA-N
MW166.18 g/mol
LogP1.49
Rot. Bonds2

About (2-hydroxycyclopenta-2,4-dien-1-yl) 2-methylprop-2-enoate

(2-hydroxycyclopenta-2,4-dien-1-yl) 2-methylprop-2-enoate (PubChem CID 139761746) has the molecular formula C9H10O3 and a molecular weight of 166.18 g/mol. Its IUPAC name is (2-hydroxycyclopenta-2,4-dien-1-yl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(2-hydroxycyclopenta-2,4-dien-1-yl) 2-methylprop-2-enoate
PubChem CID139761746
Molecular FormulaC9H10O3
Molecular Weight166.18 g/mol
Exact Mass166.06
IUPAC Name(2-hydroxycyclopenta-2,4-dien-1-yl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1C=CC=C1O
InChIInChI=1S/C9H10O3/c1-6(2)9(11)12-8-5-3-4-7(8)10/h3-5,8,10H,1H2,2H3
InChIKeyVBJCPVODEWMYQJ-UHFFFAOYSA-N
XLogP1.49
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

Bombardolide A
CID 10261701
(5R)-5-(1E)-1,3-Butadien-1-yl-3-(1E)-1-propen-1-yl-2(5H)-furanone
CID 10965058
ethyl (E)-3-(3,4-dihydroxycyclohexa-1,4-dien-1-yl)prop-2-enoate
CID 44338270
[(2S,3Z)-2-hydroxy-3-(5-oxofuran-2-ylidene)propyl] acetate
CID 156018439
(5E)-3-[(E)-3-hydroxyprop-1-enyl]-5-propylidenefuran-2-one
CID 10888517
[4,5-dihydroxy-1-(5-oxo-2H-furan-2-yl)hex-2-enyl] 2-methylbut-2-enoate
CID 74191724
2-buta-1,3-dienyl-4-prop-1-enyl-2H-furan-5-one
CID 85348725
Phomopsolidone A
CID 101876422
(Z)-5-(2,3-dihydroxybutylidene)-3-((E)-prop-1-en-1-yl)furan-2(5H)-one
CID 122206279
Nemanilactone A
CID 139590827
Angupyrone B
CID 156581430
3-hydroxy-4-methyl-5-prop-1-enyl-3H-furan-2-one
CID 162815165

Frequently Asked Questions

What is the IUPAC name of (2-hydroxycyclopenta-2,4-dien-1-yl) 2-methylprop-2-enoate?
The IUPAC name of (2-hydroxycyclopenta-2,4-dien-1-yl) 2-methylprop-2-enoate (CID 139761746) is (2-hydroxycyclopenta-2,4-dien-1-yl) 2-methylprop-2-enoate.
What is the SMILES notation for (2-hydroxycyclopenta-2,4-dien-1-yl) 2-methylprop-2-enoate?
The canonical SMILES for (2-hydroxycyclopenta-2,4-dien-1-yl) 2-methylprop-2-enoate is C=C(C)C(=O)OC1C=CC=C1O.
What is the InChIKey of (2-hydroxycyclopenta-2,4-dien-1-yl) 2-methylprop-2-enoate?
The InChIKey is VBJCPVODEWMYQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O3/c1-6(2)9(11)12-8-5-3-4-7(8)10/h3-5,8,10H,1H2,2H3.
What are the key properties of (2-hydroxycyclopenta-2,4-dien-1-yl) 2-methylprop-2-enoate?
(2-hydroxycyclopenta-2,4-dien-1-yl) 2-methylprop-2-enoate has a molecular weight of 166.18 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxycyclopenta-2,4-dien-1-yl) 2-methylprop-2-enoate is sourced from PubChem (CID 139761746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).