methyl 1'-methylspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylate

C15H18O2 — CID 122463415

IUPACmethyl 1'-methylspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylate
SMILESCOC(=O)C1(C)CC12CCCc1ccccc12
InChIInChI=1S/C15H18O2/c1-14(13(16)17-2)10-15(14)9-5-7-11-6-3-4-8-12(11)15/h3-4,6,8H,5,7,9-10H2,1-2H3
InChIKeyYVNQMBUZLOACDF-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.84
Rot. Bonds1

About methyl 1'-methylspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylate

methyl 1'-methylspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylate (PubChem CID 122463415) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is methyl 1'-methylspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylate.

Molecular Properties

Compound Namemethyl 1'-methylspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylate
PubChem CID122463415
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Namemethyl 1'-methylspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylate
SMILESCOC(=O)C1(C)CC12CCCc1ccccc12
InChIInChI=1S/C15H18O2/c1-14(13(16)17-2)10-15(14)9-5-7-11-6-3-4-8-12(11)15/h3-4,6,8H,5,7,9-10H2,1-2H3
InChIKeyYVNQMBUZLOACDF-UHFFFAOYSA-N
XLogP2.84
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze methyl 1'-methylspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylate with MolForge

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Related Compounds

methyl 1-hydroxy-2,3-dihydroindene-1-carboxylate
CID 62213056
methyl 1-(cyclopropylamino)-3,4-dihydro-2H-naphthalene-1-carboxylate
CID 60797313
methyl (1R)-1-amino-2,3-dihydroindene-1-carboxylate
CID 67850264
methyl 2'-propan-2-ylspiro[2,3-dihydro-1H-naphthalene-4,3'-oxirane]-2'-carboxylate
CID 79298955
methyl 1-(2-methylpropylamino)-3,4-dihydro-2H-naphthalene-1-carboxylate
CID 54895148
methyl 1-(2-azidoethylamino)-3,4-dihydro-2H-naphthalene-1-carboxylate
CID 66191017
2,2-dichloro-N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-1-methylcyclopropane-1-carboxamide
CID 111110680
methyl 2'-propan-2-ylspiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,3'-oxirane]-2'-carboxylate
CID 79298542
methyl N-(1-methyl-2,3-dihydroinden-1-yl)carbamate
CID 145156027
ethyl (1S)-1-(hydroxymethyl)-3,4-dihydro-2H-naphthalene-1-carboxylate
CID 155818705
dimethyl tetracyclo[6.6.3.02,7.09,14]heptadeca-2,4,6,9,11,13-hexaene-1,8-dicarboxylate
CID 102099332
methyl 1-(cyclohexylamino)-2,3-dihydroindene-1-carboxylate
CID 60998070

Frequently Asked Questions

What is the IUPAC name of methyl 1'-methylspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylate?
The IUPAC name of methyl 1'-methylspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylate (CID 122463415) is methyl 1'-methylspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylate.
What is the SMILES notation for methyl 1'-methylspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylate?
The canonical SMILES for methyl 1'-methylspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylate is COC(=O)C1(C)CC12CCCc1ccccc12.
What is the InChIKey of methyl 1'-methylspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylate?
The InChIKey is YVNQMBUZLOACDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O2/c1-14(13(16)17-2)10-15(14)9-5-7-11-6-3-4-8-12(11)15/h3-4,6,8H,5,7,9-10H2,1-2H3.
What are the key properties of methyl 1'-methylspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylate?
methyl 1'-methylspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylate has a molecular weight of 230.31 g/mol, XLogP of 2.84, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1'-methylspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylate is sourced from PubChem (CID 122463415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).