ethyl 5-cyclopropyl-1H-indene-2-carboxylate

C15H16O2 — CID 159652933

IUPACethyl 5-cyclopropyl-1H-indene-2-carboxylate
SMILESCCOC(=O)C1=Cc2cc(C3CC3)ccc2C1
InChIInChI=1S/C15H16O2/c1-2-17-15(16)14-8-12-6-5-11(10-3-4-10)7-13(12)9-14/h5-7,9-10H,2-4,8H2,1H3
InChIKeyUARJRXXTFUABIC-UHFFFAOYSA-N
MW228.29 g/mol
LogP3.07
Rot. Bonds3

About ethyl 5-cyclopropyl-1H-indene-2-carboxylate

ethyl 5-cyclopropyl-1H-indene-2-carboxylate (PubChem CID 159652933) has the molecular formula C15H16O2 and a molecular weight of 228.29 g/mol. Its IUPAC name is ethyl 5-cyclopropyl-1H-indene-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-cyclopropyl-1H-indene-2-carboxylate
PubChem CID159652933
Molecular FormulaC15H16O2
Molecular Weight228.29 g/mol
Exact Mass228.12
IUPAC Nameethyl 5-cyclopropyl-1H-indene-2-carboxylate
SMILESCCOC(=O)C1=Cc2cc(C3CC3)ccc2C1
InChIInChI=1S/C15H16O2/c1-2-17-15(16)14-8-12-6-5-11(10-3-4-10)7-13(12)9-14/h5-7,9-10H,2-4,8H2,1H3
InChIKeyUARJRXXTFUABIC-UHFFFAOYSA-N
XLogP3.07
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-cyclopropyl-1H-indene-2-carboxylate?
The IUPAC name of ethyl 5-cyclopropyl-1H-indene-2-carboxylate (CID 159652933) is ethyl 5-cyclopropyl-1H-indene-2-carboxylate.
What is the SMILES notation for ethyl 5-cyclopropyl-1H-indene-2-carboxylate?
The canonical SMILES for ethyl 5-cyclopropyl-1H-indene-2-carboxylate is CCOC(=O)C1=Cc2cc(C3CC3)ccc2C1.
What is the InChIKey of ethyl 5-cyclopropyl-1H-indene-2-carboxylate?
The InChIKey is UARJRXXTFUABIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2/c1-2-17-15(16)14-8-12-6-5-11(10-3-4-10)7-13(12)9-14/h5-7,9-10H,2-4,8H2,1H3.
What are the key properties of ethyl 5-cyclopropyl-1H-indene-2-carboxylate?
ethyl 5-cyclopropyl-1H-indene-2-carboxylate has a molecular weight of 228.29 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-cyclopropyl-1H-indene-2-carboxylate is sourced from PubChem (CID 159652933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).