ethyl (2S)-2-(2-methylidene-1,3-dihydroinden-1-yl)propanoate

C15H18O2 — CID 170021750

IUPACethyl (2S)-2-(2-methylidene-1,3-dihydroinden-1-yl)propanoate
SMILESC=C1Cc2ccccc2C1[C@H](C)C(=O)OCC
InChIInChI=1S/C15H18O2/c1-4-17-15(16)11(3)14-10(2)9-12-7-5-6-8-13(12)14/h5-8,11,14H,2,4,9H2,1,3H3/t11-,14?/m0/s1
InChIKeyWINLILPFAPHPDV-ZSOXZCCMSA-N
MW230.31 g/mol
LogP3.08
Rot. Bonds3

About ethyl (2S)-2-(2-methylidene-1,3-dihydroinden-1-yl)propanoate

ethyl (2S)-2-(2-methylidene-1,3-dihydroinden-1-yl)propanoate (PubChem CID 170021750) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is ethyl (2S)-2-(2-methylidene-1,3-dihydroinden-1-yl)propanoate.

Molecular Properties

Compound Nameethyl (2S)-2-(2-methylidene-1,3-dihydroinden-1-yl)propanoate
PubChem CID170021750
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Nameethyl (2S)-2-(2-methylidene-1,3-dihydroinden-1-yl)propanoate
SMILESC=C1Cc2ccccc2C1[C@H](C)C(=O)OCC
InChIInChI=1S/C15H18O2/c1-4-17-15(16)11(3)14-10(2)9-12-7-5-6-8-13(12)14/h5-8,11,14H,2,4,9H2,1,3H3/t11-,14?/m0/s1
InChIKeyWINLILPFAPHPDV-ZSOXZCCMSA-N
XLogP3.08
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-(2-methylidene-1,3-dihydroinden-1-yl)propanoate?
The IUPAC name of ethyl (2S)-2-(2-methylidene-1,3-dihydroinden-1-yl)propanoate (CID 170021750) is ethyl (2S)-2-(2-methylidene-1,3-dihydroinden-1-yl)propanoate.
What is the SMILES notation for ethyl (2S)-2-(2-methylidene-1,3-dihydroinden-1-yl)propanoate?
The canonical SMILES for ethyl (2S)-2-(2-methylidene-1,3-dihydroinden-1-yl)propanoate is C=C1Cc2ccccc2C1[C@H](C)C(=O)OCC.
What is the InChIKey of ethyl (2S)-2-(2-methylidene-1,3-dihydroinden-1-yl)propanoate?
The InChIKey is WINLILPFAPHPDV-ZSOXZCCMSA-N. The full InChI is InChI=1S/C15H18O2/c1-4-17-15(16)11(3)14-10(2)9-12-7-5-6-8-13(12)14/h5-8,11,14H,2,4,9H2,1,3H3/t11-,14?/m0/s1.
What are the key properties of ethyl (2S)-2-(2-methylidene-1,3-dihydroinden-1-yl)propanoate?
ethyl (2S)-2-(2-methylidene-1,3-dihydroinden-1-yl)propanoate has a molecular weight of 230.31 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-(2-methylidene-1,3-dihydroinden-1-yl)propanoate is sourced from PubChem (CID 170021750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).