ethyl (1'R)-spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxylate

C14H16O3 — CID 153078138

IUPACethyl (1'R)-spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxylate
SMILESCCOC(=O)[C@@H]1CC12CCOc1ccccc12
InChIInChI=1S/C14H16O3/c1-2-16-13(15)11-9-14(11)7-8-17-12-6-4-3-5-10(12)14/h3-6,11H,2,7-9H2,1H3/t11-,14?/m0/s1
InChIKeyVMSMCGRYAKDGSK-ZSOXZCCMSA-N
MW232.28 g/mol
LogP2.29
Rot. Bonds2

About ethyl (1'R)-spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxylate

ethyl (1'R)-spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxylate (PubChem CID 153078138) has the molecular formula C14H16O3 and a molecular weight of 232.28 g/mol. Its IUPAC name is ethyl (1'R)-spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxylate.

Molecular Properties

Compound Nameethyl (1'R)-spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxylate
PubChem CID153078138
Molecular FormulaC14H16O3
Molecular Weight232.28 g/mol
Exact Mass232.11
IUPAC Nameethyl (1'R)-spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxylate
SMILESCCOC(=O)[C@@H]1CC12CCOc1ccccc12
InChIInChI=1S/C14H16O3/c1-2-16-13(15)11-9-14(11)7-8-17-12-6-4-3-5-10(12)14/h3-6,11H,2,7-9H2,1H3/t11-,14?/m0/s1
InChIKeyVMSMCGRYAKDGSK-ZSOXZCCMSA-N
XLogP2.29
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,2,2-trifluoroethoxy)ethyl (1'S,4R)-spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxylate
CID 97219313
ethyl (1'R,4R)-6-(propan-2-ylcarbamoyl)spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxylate
CID 175855986
ethyl 3'-methylspiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxylate
CID 138630636
ethyl 4-amino-2,3-dihydrochromene-4-carboxylate
CID 3944354
ethyl 2-[4-(diethylamino)-2,3-dihydrochromen-4-yl]acetate
CID 64539071
(1'R,4S)-N-(2-methoxy-2-phenylethyl)spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide
CID 127265809
N-[2-(methylamino)propyl]spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide;hydrochloride
CID 120827446
ethyl 4-(cyclopentylamino)-2,3-dihydrochromene-4-carboxylate
CID 60997341
N-(3-methoxy-6-methyl-2-pyridinyl)spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide
CID 127395770
methyl (1'S,4R)-6-hydroxyspiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxylate
CID 58379982
[(1'R,4S)-spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-yl]methanol
CID 124512943
ethyl (1'R,3R)-5-hydroxyspiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxylate
CID 58379899

Frequently Asked Questions

What is the IUPAC name of ethyl (1'R)-spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxylate?
The IUPAC name of ethyl (1'R)-spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxylate (CID 153078138) is ethyl (1'R)-spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxylate.
What is the SMILES notation for ethyl (1'R)-spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxylate?
The canonical SMILES for ethyl (1'R)-spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxylate is CCOC(=O)[C@@H]1CC12CCOc1ccccc12.
What is the InChIKey of ethyl (1'R)-spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxylate?
The InChIKey is VMSMCGRYAKDGSK-ZSOXZCCMSA-N. The full InChI is InChI=1S/C14H16O3/c1-2-16-13(15)11-9-14(11)7-8-17-12-6-4-3-5-10(12)14/h3-6,11H,2,7-9H2,1H3/t11-,14?/m0/s1.
What are the key properties of ethyl (1'R)-spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxylate?
ethyl (1'R)-spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxylate has a molecular weight of 232.28 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (1'R)-spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxylate is sourced from PubChem (CID 153078138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).