ethyl 1-ethyl-1a,6-dihydro-1H-cyclopropa[a]indene-6a-carboxylate

C15H18O2 — CID 11379225

IUPACethyl 1-ethyl-1a,6-dihydro-1H-cyclopropa[a]indene-6a-carboxylate
SMILESCCOC(=O)C12Cc3ccccc3C1C2CC
InChIInChI=1S/C15H18O2/c1-3-12-13-11-8-6-5-7-10(11)9-15(12,13)14(16)17-4-2/h5-8,12-13H,3-4,9H2,1-2H3
InChIKeyIFZMFCRJSXUXEQ-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.92
Rot. Bonds3

About ethyl 1-ethyl-1a,6-dihydro-1H-cyclopropa[a]indene-6a-carboxylate

ethyl 1-ethyl-1a,6-dihydro-1H-cyclopropa[a]indene-6a-carboxylate (PubChem CID 11379225) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is ethyl 1-ethyl-1a,6-dihydro-1H-cyclopropa[a]indene-6a-carboxylate.

Molecular Properties

Compound Nameethyl 1-ethyl-1a,6-dihydro-1H-cyclopropa[a]indene-6a-carboxylate
PubChem CID11379225
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Nameethyl 1-ethyl-1a,6-dihydro-1H-cyclopropa[a]indene-6a-carboxylate
SMILESCCOC(=O)C12Cc3ccccc3C1C2CC
InChIInChI=1S/C15H18O2/c1-3-12-13-11-8-6-5-7-10(11)9-15(12,13)14(16)17-4-2/h5-8,12-13H,3-4,9H2,1-2H3
InChIKeyIFZMFCRJSXUXEQ-UHFFFAOYSA-N
XLogP2.92
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 ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

diethyl 9-phenyl-5,7,8,9-tetrahydrobenzo[7]annulene-6,6-dicarboxylate
CID 54763664
ethyl 2-phenyl-1,3-dihydroindene-2-carboxylate
CID 118559917
ethyl 16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaene-1-carboxylate
CID 14271439
diethyl 2-(2-chlorophenyl)cyclopropane-1,1-dicarboxylate
CID 12641252
tetraethyl 3,9-diazatricyclo[6.4.0.02,7]dodeca-4,10-diene-1,5,7,11-tetracarboxylate
CID 101479592
diethyl 4-[(4-bromophenyl)carbamoyl]-3,4-dihydro-1H-naphthalene-2,2-dicarboxylate
CID 175969639
triethyl 5-oxo-2,3-dihydro-1H-2-benzazepine-3,4,4-tricarboxylate
CID 135020667
ethyl 2-[[(1R)-1,2,3,4-tetrahydronaphthalene-1-carbonyl]amino]-1,3-dihydroindene-2-carboxylate
CID 59314141
ethyl 1-amino-2-(2-methoxyphenyl)cyclopropane-1-carboxylate
CID 82363625
ethyl 2-acetamido-1-pentanoyloxy-1,3-dihydroindene-2-carboxylate
CID 57227775
ethyl 2-(2,3-dihydro-1H-inden-2-yl)acetate
CID 10104359
ethyl 2-cyano-3-methylidene-1H-indene-2-carboxylate
CID 46850160

Frequently Asked Questions

What is the IUPAC name of ethyl 1-ethyl-1a,6-dihydro-1H-cyclopropa[a]indene-6a-carboxylate?
The IUPAC name of ethyl 1-ethyl-1a,6-dihydro-1H-cyclopropa[a]indene-6a-carboxylate (CID 11379225) is ethyl 1-ethyl-1a,6-dihydro-1H-cyclopropa[a]indene-6a-carboxylate.
What is the SMILES notation for ethyl 1-ethyl-1a,6-dihydro-1H-cyclopropa[a]indene-6a-carboxylate?
The canonical SMILES for ethyl 1-ethyl-1a,6-dihydro-1H-cyclopropa[a]indene-6a-carboxylate is CCOC(=O)C12Cc3ccccc3C1C2CC.
What is the InChIKey of ethyl 1-ethyl-1a,6-dihydro-1H-cyclopropa[a]indene-6a-carboxylate?
The InChIKey is IFZMFCRJSXUXEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O2/c1-3-12-13-11-8-6-5-7-10(11)9-15(12,13)14(16)17-4-2/h5-8,12-13H,3-4,9H2,1-2H3.
What are the key properties of ethyl 1-ethyl-1a,6-dihydro-1H-cyclopropa[a]indene-6a-carboxylate?
ethyl 1-ethyl-1a,6-dihydro-1H-cyclopropa[a]indene-6a-carboxylate has a molecular weight of 230.31 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-ethyl-1a,6-dihydro-1H-cyclopropa[a]indene-6a-carboxylate is sourced from PubChem (CID 11379225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).