3-cyclopenta-1,3-dien-1-yl-2-methylprop-2-enoic acid

C9H10O2 — CID 54195242

IUPAC3-cyclopenta-1,3-dien-1-yl-2-methylprop-2-enoic acid
SMILESCC(=CC1=CC=CC1)C(=O)O
InChIInChI=1S/C9H10O2/c1-7(9(10)11)6-8-4-2-3-5-8/h2-4,6H,5H2,1H3,(H,10,11)
InChIKeyPLINQPPOZATIKP-UHFFFAOYSA-N
MW150.18 g/mol
LogP1.90
Rot. Bonds2

About 3-cyclopenta-1,3-dien-1-yl-2-methylprop-2-enoic acid

3-cyclopenta-1,3-dien-1-yl-2-methylprop-2-enoic acid (PubChem CID 54195242) has the molecular formula C9H10O2 and a molecular weight of 150.18 g/mol. Its IUPAC name is 3-cyclopenta-1,3-dien-1-yl-2-methylprop-2-enoic acid.

Molecular Properties

Compound Name3-cyclopenta-1,3-dien-1-yl-2-methylprop-2-enoic acid
PubChem CID54195242
Molecular FormulaC9H10O2
Molecular Weight150.18 g/mol
Exact Mass150.07
IUPAC Name3-cyclopenta-1,3-dien-1-yl-2-methylprop-2-enoic acid
SMILESCC(=CC1=CC=CC1)C(=O)O
InChIInChI=1S/C9H10O2/c1-7(9(10)11)6-8-4-2-3-5-8/h2-4,6H,5H2,1H3,(H,10,11)
InChIKeyPLINQPPOZATIKP-UHFFFAOYSA-N
XLogP1.90
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 3-cyclopenta-1,3-dien-1-yl-2-methylprop-2-enoic acid?
The IUPAC name of 3-cyclopenta-1,3-dien-1-yl-2-methylprop-2-enoic acid (CID 54195242) is 3-cyclopenta-1,3-dien-1-yl-2-methylprop-2-enoic acid.
What is the SMILES notation for 3-cyclopenta-1,3-dien-1-yl-2-methylprop-2-enoic acid?
The canonical SMILES for 3-cyclopenta-1,3-dien-1-yl-2-methylprop-2-enoic acid is CC(=CC1=CC=CC1)C(=O)O.
What is the InChIKey of 3-cyclopenta-1,3-dien-1-yl-2-methylprop-2-enoic acid?
The InChIKey is PLINQPPOZATIKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2/c1-7(9(10)11)6-8-4-2-3-5-8/h2-4,6H,5H2,1H3,(H,10,11).
What are the key properties of 3-cyclopenta-1,3-dien-1-yl-2-methylprop-2-enoic acid?
3-cyclopenta-1,3-dien-1-yl-2-methylprop-2-enoic acid has a molecular weight of 150.18 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopenta-1,3-dien-1-yl-2-methylprop-2-enoic acid is sourced from PubChem (CID 54195242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).