cyclopenta-1,3-dien-1-yl 2-methylprop-2-enoate

C9H10O2 — CID 22990289

IUPACcyclopenta-1,3-dien-1-yl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1=CC=CC1
InChIInChI=1S/C9H10O2/c1-7(2)9(10)11-8-5-3-4-6-8/h3-5H,1,6H2,2H3
InChIKeyJWKHAQORVQAFNT-UHFFFAOYSA-N
MW150.18 g/mol
LogP1.95
Rot. Bonds2

About cyclopenta-1,3-dien-1-yl 2-methylprop-2-enoate

cyclopenta-1,3-dien-1-yl 2-methylprop-2-enoate (PubChem CID 22990289) has the molecular formula C9H10O2 and a molecular weight of 150.18 g/mol. Its IUPAC name is cyclopenta-1,3-dien-1-yl 2-methylprop-2-enoate.

Molecular Properties

Compound Namecyclopenta-1,3-dien-1-yl 2-methylprop-2-enoate
PubChem CID22990289
Molecular FormulaC9H10O2
Molecular Weight150.18 g/mol
Exact Mass150.07
IUPAC Namecyclopenta-1,3-dien-1-yl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1=CC=CC1
InChIInChI=1S/C9H10O2/c1-7(2)9(10)11-8-5-3-4-6-8/h3-5H,1,6H2,2H3
InChIKeyJWKHAQORVQAFNT-UHFFFAOYSA-N
XLogP1.95
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-dien-1-yl 2-methylprop-2-enoate?
The IUPAC name of cyclopenta-1,3-dien-1-yl 2-methylprop-2-enoate (CID 22990289) is cyclopenta-1,3-dien-1-yl 2-methylprop-2-enoate.
What is the SMILES notation for cyclopenta-1,3-dien-1-yl 2-methylprop-2-enoate?
The canonical SMILES for cyclopenta-1,3-dien-1-yl 2-methylprop-2-enoate is C=C(C)C(=O)OC1=CC=CC1.
What is the InChIKey of cyclopenta-1,3-dien-1-yl 2-methylprop-2-enoate?
The InChIKey is JWKHAQORVQAFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2/c1-7(2)9(10)11-8-5-3-4-6-8/h3-5H,1,6H2,2H3.
What are the key properties of cyclopenta-1,3-dien-1-yl 2-methylprop-2-enoate?
cyclopenta-1,3-dien-1-yl 2-methylprop-2-enoate has a molecular weight of 150.18 g/mol, XLogP of 1.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-dien-1-yl 2-methylprop-2-enoate is sourced from PubChem (CID 22990289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).