ethyl spiro[bicyclo[4.1.0]hept-1(7)-ene-3,1'-cyclopropane]-7-carboxylate

C12H16O2 — CID 148617843

IUPACethyl spiro[bicyclo[4.1.0]hept-1(7)-ene-3,1'-cyclopropane]-7-carboxylate
SMILESCCOC(=O)C1=C2CC3(CCC21)CC3
InChIInChI=1S/C12H16O2/c1-2-14-11(13)10-8-3-4-12(5-6-12)7-9(8)10/h8H,2-7H2,1H3
InChIKeyNFQQBTVTLLAJGQ-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.44
Rot. Bonds2

About ethyl spiro[bicyclo[4.1.0]hept-1(7)-ene-3,1'-cyclopropane]-7-carboxylate

ethyl spiro[bicyclo[4.1.0]hept-1(7)-ene-3,1'-cyclopropane]-7-carboxylate (PubChem CID 148617843) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is ethyl spiro[bicyclo[4.1.0]hept-1(7)-ene-3,1'-cyclopropane]-7-carboxylate.

Molecular Properties

Compound Nameethyl spiro[bicyclo[4.1.0]hept-1(7)-ene-3,1'-cyclopropane]-7-carboxylate
PubChem CID148617843
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Nameethyl spiro[bicyclo[4.1.0]hept-1(7)-ene-3,1'-cyclopropane]-7-carboxylate
SMILESCCOC(=O)C1=C2CC3(CCC21)CC3
InChIInChI=1S/C12H16O2/c1-2-14-11(13)10-8-3-4-12(5-6-12)7-9(8)10/h8H,2-7H2,1H3
InChIKeyNFQQBTVTLLAJGQ-UHFFFAOYSA-N
XLogP2.44
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethyl spiro[bicyclo[4.1.0]hept-1(7)-ene-3,1'-cyclopropane]-7-carboxylate?
The IUPAC name of ethyl spiro[bicyclo[4.1.0]hept-1(7)-ene-3,1'-cyclopropane]-7-carboxylate (CID 148617843) is ethyl spiro[bicyclo[4.1.0]hept-1(7)-ene-3,1'-cyclopropane]-7-carboxylate.
What is the SMILES notation for ethyl spiro[bicyclo[4.1.0]hept-1(7)-ene-3,1'-cyclopropane]-7-carboxylate?
The canonical SMILES for ethyl spiro[bicyclo[4.1.0]hept-1(7)-ene-3,1'-cyclopropane]-7-carboxylate is CCOC(=O)C1=C2CC3(CCC21)CC3.
What is the InChIKey of ethyl spiro[bicyclo[4.1.0]hept-1(7)-ene-3,1'-cyclopropane]-7-carboxylate?
The InChIKey is NFQQBTVTLLAJGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-2-14-11(13)10-8-3-4-12(5-6-12)7-9(8)10/h8H,2-7H2,1H3.
What are the key properties of ethyl spiro[bicyclo[4.1.0]hept-1(7)-ene-3,1'-cyclopropane]-7-carboxylate?
ethyl spiro[bicyclo[4.1.0]hept-1(7)-ene-3,1'-cyclopropane]-7-carboxylate has a molecular weight of 192.26 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl spiro[bicyclo[4.1.0]hept-1(7)-ene-3,1'-cyclopropane]-7-carboxylate is sourced from PubChem (CID 148617843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).