ethyl (1R)-1,1a,1b,5a,6,6a-hexahydrocyclopropa[a]indene-1-carboxylate

C13H16O2 — CID 91001047

IUPACethyl (1R)-1,1a,1b,5a,6,6a-hexahydrocyclopropa[a]indene-1-carboxylate
SMILESCCOC(=O)C1C2CC3C=CC=CC3C21
InChIInChI=1S/C13H16O2/c1-2-15-13(14)12-10-7-8-5-3-4-6-9(8)11(10)12/h3-6,8-12H,2,7H2,1H3
InChIKeyQOABDEOYPGHOHN-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.17
Rot. Bonds2

About ethyl (1R)-1,1a,1b,5a,6,6a-hexahydrocyclopropa[a]indene-1-carboxylate

ethyl (1R)-1,1a,1b,5a,6,6a-hexahydrocyclopropa[a]indene-1-carboxylate (PubChem CID 91001047) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is ethyl (1R)-1,1a,1b,5a,6,6a-hexahydrocyclopropa[a]indene-1-carboxylate.

Molecular Properties

Compound Nameethyl (1R)-1,1a,1b,5a,6,6a-hexahydrocyclopropa[a]indene-1-carboxylate
PubChem CID91001047
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Nameethyl (1R)-1,1a,1b,5a,6,6a-hexahydrocyclopropa[a]indene-1-carboxylate
SMILESCCOC(=O)C1C2CC3C=CC=CC3C21
InChIInChI=1S/C13H16O2/c1-2-15-13(14)12-10-7-8-5-3-4-6-9(8)11(10)12/h3-6,8-12H,2,7H2,1H3
InChIKeyQOABDEOYPGHOHN-UHFFFAOYSA-N
XLogP2.17
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze ethyl (1R)-1,1a,1b,5a,6,6a-hexahydrocyclopropa[a]indene-1-carboxylate with MolForge

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Related Compounds

ethyl 9-azatricyclo[4.4.0.02,4]deca-7,9-diene-3-carboxylate
CID 90032894
5-ethoxycarbonyltetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylic acid
CID 141321163
ethyl (1S,3S,4R,6S)-3,4-dihydroxybicyclo[4.1.0]heptane-7-carboxylate
CID 98525001
tetraethyl bicyclo[2.2.2]oct-7-ene-2,3,5,6-tetracarboxylate
CID 12580813
ethyl (1R,6S,7R)-2-hydroxybicyclo[4.1.0]heptane-7-carboxylate
CID 14339029
ethyl (6R)-6-hydroxytricyclo[5.3.1.03,8]undec-9-ene-2-carboxylate
CID 135036680
ethyl 2-hydroxybicyclo[3.1.0]hexane-6-carboxylate
CID 76818496
diethyl (1S,4R)-bicyclo[2.2.1]heptane-2,3-dicarboxylate
CID 11107465
diethyl (1R,3R,4S)-bicyclo[2.2.1]heptane-2,3-dicarboxylate
CID 58077966
diethyl (2R,3R)-bicyclo[2.2.1]heptane-2,3-dicarboxylate
CID 59722419
(1S,2S,3S,4R)-3-ethoxycarbonylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 13005433
ethyl (1S,2R,3S,4R)-3-aminobicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 11886809

Frequently Asked Questions

What is the IUPAC name of ethyl (1R)-1,1a,1b,5a,6,6a-hexahydrocyclopropa[a]indene-1-carboxylate?
The IUPAC name of ethyl (1R)-1,1a,1b,5a,6,6a-hexahydrocyclopropa[a]indene-1-carboxylate (CID 91001047) is ethyl (1R)-1,1a,1b,5a,6,6a-hexahydrocyclopropa[a]indene-1-carboxylate.
What is the SMILES notation for ethyl (1R)-1,1a,1b,5a,6,6a-hexahydrocyclopropa[a]indene-1-carboxylate?
The canonical SMILES for ethyl (1R)-1,1a,1b,5a,6,6a-hexahydrocyclopropa[a]indene-1-carboxylate is CCOC(=O)C1C2CC3C=CC=CC3C21.
What is the InChIKey of ethyl (1R)-1,1a,1b,5a,6,6a-hexahydrocyclopropa[a]indene-1-carboxylate?
The InChIKey is QOABDEOYPGHOHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2/c1-2-15-13(14)12-10-7-8-5-3-4-6-9(8)11(10)12/h3-6,8-12H,2,7H2,1H3.
What are the key properties of ethyl (1R)-1,1a,1b,5a,6,6a-hexahydrocyclopropa[a]indene-1-carboxylate?
ethyl (1R)-1,1a,1b,5a,6,6a-hexahydrocyclopropa[a]indene-1-carboxylate has a molecular weight of 204.27 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (1R)-1,1a,1b,5a,6,6a-hexahydrocyclopropa[a]indene-1-carboxylate is sourced from PubChem (CID 91001047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).