(E)-3-(2,3-dihydro-1H-inden-5-yl)prop-2-enoic acid

C12H12O2 — CID 6183612

IUPAC(E)-3-(2,3-dihydro-1H-inden-5-yl)prop-2-enoic acid
SMILESO=C(O)/C=C/c1ccc2c(c1)CCC2
InChIInChI=1S/C12H12O2/c13-12(14)7-5-9-4-6-10-2-1-3-11(10)8-9/h4-8H,1-3H2,(H,13,14)/b7-5+
InChIKeyZWQQSSDIRQRRNW-FNORWQNLSA-N
MW188.23 g/mol
LogP2.27
Rot. Bonds2

About (E)-3-(2,3-dihydro-1H-inden-5-yl)prop-2-enoic acid

(E)-3-(2,3-dihydro-1H-inden-5-yl)prop-2-enoic acid (PubChem CID 6183612) has the molecular formula C12H12O2 and a molecular weight of 188.23 g/mol. Its IUPAC name is (E)-3-(2,3-dihydro-1H-inden-5-yl)prop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-(2,3-dihydro-1H-inden-5-yl)prop-2-enoic acid
PubChem CID6183612
Molecular FormulaC12H12O2
Molecular Weight188.23 g/mol
Exact Mass188.08
IUPAC Name(E)-3-(2,3-dihydro-1H-inden-5-yl)prop-2-enoic acid
SMILESO=C(O)/C=C/c1ccc2c(c1)CCC2
InChIInChI=1S/C12H12O2/c13-12(14)7-5-9-4-6-10-2-1-3-11(10)8-9/h4-8H,1-3H2,(H,13,14)/b7-5+
InChIKeyZWQQSSDIRQRRNW-FNORWQNLSA-N
XLogP2.27
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-3-(2,3-dihydro-1H-inden-5-yl)prop-2-enoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,3-dihydro-1H-inden-5-yl)prop-2-enoic acid?
The IUPAC name of (E)-3-(2,3-dihydro-1H-inden-5-yl)prop-2-enoic acid (CID 6183612) is (E)-3-(2,3-dihydro-1H-inden-5-yl)prop-2-enoic acid.
What is the SMILES notation for (E)-3-(2,3-dihydro-1H-inden-5-yl)prop-2-enoic acid?
The canonical SMILES for (E)-3-(2,3-dihydro-1H-inden-5-yl)prop-2-enoic acid is O=C(O)/C=C/c1ccc2c(c1)CCC2.
What is the InChIKey of (E)-3-(2,3-dihydro-1H-inden-5-yl)prop-2-enoic acid?
The InChIKey is ZWQQSSDIRQRRNW-FNORWQNLSA-N. The full InChI is InChI=1S/C12H12O2/c13-12(14)7-5-9-4-6-10-2-1-3-11(10)8-9/h4-8H,1-3H2,(H,13,14)/b7-5+.
What are the key properties of (E)-3-(2,3-dihydro-1H-inden-5-yl)prop-2-enoic acid?
(E)-3-(2,3-dihydro-1H-inden-5-yl)prop-2-enoic acid has a molecular weight of 188.23 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,3-dihydro-1H-inden-5-yl)prop-2-enoic acid is sourced from PubChem (CID 6183612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).