(2E)-2-spiro[2H-indene-3,1'-cyclopentane]-1-ylideneacetic acid

C15H16O2 — CID 70607052

IUPAC(2E)-2-spiro[2H-indene-3,1'-cyclopentane]-1-ylideneacetic acid
SMILESO=C(O)/C=C1\CC2(CCCC2)c2ccccc21
InChIInChI=1S/C15H16O2/c16-14(17)9-11-10-15(7-3-4-8-15)13-6-2-1-5-12(11)13/h1-2,5-6,9H,3-4,7-8,10H2,(H,16,17)/b11-9+
InChIKeyRVQWYPIHHAEQTH-PKNBQFBNSA-N
MW228.29 g/mol
LogP3.37
Rot. Bonds1

About (2E)-2-spiro[2H-indene-3,1'-cyclopentane]-1-ylideneacetic acid

(2E)-2-spiro[2H-indene-3,1'-cyclopentane]-1-ylideneacetic acid (PubChem CID 70607052) has the molecular formula C15H16O2 and a molecular weight of 228.29 g/mol. Its IUPAC name is (2E)-2-spiro[2H-indene-3,1'-cyclopentane]-1-ylideneacetic acid.

Molecular Properties

Compound Name(2E)-2-spiro[2H-indene-3,1'-cyclopentane]-1-ylideneacetic acid
PubChem CID70607052
Molecular FormulaC15H16O2
Molecular Weight228.29 g/mol
Exact Mass228.12
IUPAC Name(2E)-2-spiro[2H-indene-3,1'-cyclopentane]-1-ylideneacetic acid
SMILESO=C(O)/C=C1\CC2(CCCC2)c2ccccc21
InChIInChI=1S/C15H16O2/c16-14(17)9-11-10-15(7-3-4-8-15)13-6-2-1-5-12(11)13/h1-2,5-6,9H,3-4,7-8,10H2,(H,16,17)/b11-9+
InChIKeyRVQWYPIHHAEQTH-PKNBQFBNSA-N
XLogP3.37
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 53.37
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 (2E)-2-spiro[2H-indene-3,1'-cyclopentane]-1-ylideneacetic acid?
The IUPAC name of (2E)-2-spiro[2H-indene-3,1'-cyclopentane]-1-ylideneacetic acid (CID 70607052) is (2E)-2-spiro[2H-indene-3,1'-cyclopentane]-1-ylideneacetic acid.
What is the SMILES notation for (2E)-2-spiro[2H-indene-3,1'-cyclopentane]-1-ylideneacetic acid?
The canonical SMILES for (2E)-2-spiro[2H-indene-3,1'-cyclopentane]-1-ylideneacetic acid is O=C(O)/C=C1\CC2(CCCC2)c2ccccc21.
What is the InChIKey of (2E)-2-spiro[2H-indene-3,1'-cyclopentane]-1-ylideneacetic acid?
The InChIKey is RVQWYPIHHAEQTH-PKNBQFBNSA-N. The full InChI is InChI=1S/C15H16O2/c16-14(17)9-11-10-15(7-3-4-8-15)13-6-2-1-5-12(11)13/h1-2,5-6,9H,3-4,7-8,10H2,(H,16,17)/b11-9+.
What are the key properties of (2E)-2-spiro[2H-indene-3,1'-cyclopentane]-1-ylideneacetic acid?
(2E)-2-spiro[2H-indene-3,1'-cyclopentane]-1-ylideneacetic acid has a molecular weight of 228.29 g/mol, XLogP of 3.37, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-spiro[2H-indene-3,1'-cyclopentane]-1-ylideneacetic acid is sourced from PubChem (CID 70607052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).