ethyl (1'R,4R)-6-(propan-2-ylcarbamoyl)spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxylate

C18H23NO4 — CID 175855986

IUPACethyl (1'R,4R)-6-(propan-2-ylcarbamoyl)spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxylate
SMILESCCOC(=O)[C@@H]1C[C@@]12CCOc1ccc(C(=O)NC(C)C)cc12
InChIInChI=1S/C18H23NO4/c1-4-22-17(21)14-10-18(14)7-8-23-15-6-5-12(9-13(15)18)16(20)19-11(2)3/h5-6,9,11,14H,4,7-8,10H2,1-3H3,(H,19,20)/t14-,18+/m0/s1
InChIKeyIHWHWNXNGDFVCM-KBXCAEBGSA-N
MW317.39 g/mol
LogP2.43
Rot. Bonds4

About ethyl (1'R,4R)-6-(propan-2-ylcarbamoyl)spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxylate

ethyl (1'R,4R)-6-(propan-2-ylcarbamoyl)spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxylate (PubChem CID 175855986) has the molecular formula C18H23NO4 and a molecular weight of 317.39 g/mol. Its IUPAC name is ethyl (1'R,4R)-6-(propan-2-ylcarbamoyl)spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxylate.

Molecular Properties

Compound Nameethyl (1'R,4R)-6-(propan-2-ylcarbamoyl)spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxylate
PubChem CID175855986
Molecular FormulaC18H23NO4
Molecular Weight317.39 g/mol
Exact Mass317.16
IUPAC Nameethyl (1'R,4R)-6-(propan-2-ylcarbamoyl)spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxylate
SMILESCCOC(=O)[C@@H]1C[C@@]12CCOc1ccc(C(=O)NC(C)C)cc12
InChIInChI=1S/C18H23NO4/c1-4-22-17(21)14-10-18(14)7-8-23-15-6-5-12(9-13(15)18)16(20)19-11(2)3/h5-6,9,11,14H,4,7-8,10H2,1-3H3,(H,19,20)/t14-,18+/m0/s1
InChIKeyIHWHWNXNGDFVCM-KBXCAEBGSA-N
XLogP2.43
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl (1'R,4R)-6-(propan-2-ylcarbamoyl)spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxylate with MolForge

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Related Compounds

(1'R,4S)-6-(propan-2-ylcarbamoyl)spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxylic acid
CID 167430588
ethyl (1'R)-spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxylate
CID 153078138
N-propan-2-ylspiro[2,3-dihydrochromene-4,1'-cyclopropane]-6-carboxamide
CID 175740103
methyl (1'S,4R)-6-hydroxyspiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxylate
CID 58379982
ethyl 2-(3,4-dihydro-2H-1,5-benzodioxepine-7-carbonylamino)propanoate
CID 61342767
ethyl (1'R,3R)-5-hydroxyspiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxylate
CID 58379899
(1'R,4S)-6-chloro-N-methylspiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide
CID 128969666
methyl 2-(3,4-dihydro-2H-1,5-benzodioxepine-7-carbonylamino)-3-methylpentanoate
CID 71902431
2-(2,2,2-trifluoroethoxy)ethyl (1'S,4R)-spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxylate
CID 97219313
methyl (2S,3R)-2-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)-3-methylpentanoate
CID 94831277
methyl (2R,3R)-2-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)-3-methylpentanoate
CID 95296407
methyl (2R)-2-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)propanoate
CID 113257882

Frequently Asked Questions

What is the IUPAC name of ethyl (1'R,4R)-6-(propan-2-ylcarbamoyl)spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxylate?
The IUPAC name of ethyl (1'R,4R)-6-(propan-2-ylcarbamoyl)spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxylate (CID 175855986) is ethyl (1'R,4R)-6-(propan-2-ylcarbamoyl)spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxylate.
What is the SMILES notation for ethyl (1'R,4R)-6-(propan-2-ylcarbamoyl)spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxylate?
The canonical SMILES for ethyl (1'R,4R)-6-(propan-2-ylcarbamoyl)spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxylate is CCOC(=O)[C@@H]1C[C@@]12CCOc1ccc(C(=O)NC(C)C)cc12.
What is the InChIKey of ethyl (1'R,4R)-6-(propan-2-ylcarbamoyl)spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxylate?
The InChIKey is IHWHWNXNGDFVCM-KBXCAEBGSA-N. The full InChI is InChI=1S/C18H23NO4/c1-4-22-17(21)14-10-18(14)7-8-23-15-6-5-12(9-13(15)18)16(20)19-11(2)3/h5-6,9,11,14H,4,7-8,10H2,1-3H3,(H,19,20)/t14-,18+/m0/s1.
What are the key properties of ethyl (1'R,4R)-6-(propan-2-ylcarbamoyl)spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxylate?
ethyl (1'R,4R)-6-(propan-2-ylcarbamoyl)spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxylate has a molecular weight of 317.39 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (1'R,4R)-6-(propan-2-ylcarbamoyl)spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxylate is sourced from PubChem (CID 175855986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).