methyl 1-naphthalen-2-yl-1,2,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3-carboxylate

C19H19NO2 — CID 134925617

IUPACmethyl 1-naphthalen-2-yl-1,2,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3-carboxylate
SMILESCOC(=O)C1=C2CCCC2C(c2ccc3ccccc3c2)N1
InChIInChI=1S/C19H19NO2/c1-22-19(21)18-16-8-4-7-15(16)17(20-18)14-10-9-12-5-2-3-6-13(12)11-14/h2-3,5-6,9-11,15,17,20H,4,7-8H2,1H3
InChIKeyRCIJFZCTTZAKLG-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.71
Rot. Bonds2

About methyl 1-naphthalen-2-yl-1,2,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3-carboxylate

methyl 1-naphthalen-2-yl-1,2,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3-carboxylate (PubChem CID 134925617) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is methyl 1-naphthalen-2-yl-1,2,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-naphthalen-2-yl-1,2,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3-carboxylate
PubChem CID134925617
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Namemethyl 1-naphthalen-2-yl-1,2,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3-carboxylate
SMILESCOC(=O)C1=C2CCCC2C(c2ccc3ccccc3c2)N1
InChIInChI=1S/C19H19NO2/c1-22-19(21)18-16-8-4-7-15(16)17(20-18)14-10-9-12-5-2-3-6-13(12)11-14/h2-3,5-6,9-11,15,17,20H,4,7-8H2,1H3
InChIKeyRCIJFZCTTZAKLG-UHFFFAOYSA-N
XLogP3.71
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 1-naphthalen-2-yl-1,2,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3-carboxylate with MolForge

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Related Compounds

methyl (4S)-6-methyl-4-naphthalen-2-yl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 8871427
methyl (6R)-3,4-dimethyl-6-naphthalen-2-yl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 8862720
ethane;methyl naphthalene-2-carboxylate
CID 143895262
2-naphthalen-2-ylcyclohexan-1-ol
CID 2793882
cis-(1R,2R)-2-naphthalen-2-ylcyclohexan-1-ol
CID 68819847
methyl 6-cyclopropylnaphthalene-2-carboxylate
CID 54752886
dimethyl (2R,5S)-5-methyl-2-naphthalen-2-yl-1,2-dihydropyrrole-3,5-dicarboxylate
CID 10936260
methyl (6S)-3-[(2R)-1-methoxypropan-2-yl]-4-methyl-6-naphthalen-2-yl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate
CID 8863428
methyl (2R)-2-naphthalen-2-yl-4-oxo-2,3-dihydropyran-5-carboxylate
CID 102466475
methyl (3R,4R)-1-methyl-4-naphthalen-2-ylpiperidine-3-carboxylate
CID 10660645
methyl (2S,3S)-3-hydroxy-2-naphthalen-2-ylpyrrolidine-1-carboxylate
CID 11737330
(2S,3S)-2,3-dinaphthalen-2-ylpiperazine
CID 11175156

Frequently Asked Questions

What is the IUPAC name of methyl 1-naphthalen-2-yl-1,2,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3-carboxylate?
The IUPAC name of methyl 1-naphthalen-2-yl-1,2,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3-carboxylate (CID 134925617) is methyl 1-naphthalen-2-yl-1,2,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3-carboxylate.
What is the SMILES notation for methyl 1-naphthalen-2-yl-1,2,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3-carboxylate?
The canonical SMILES for methyl 1-naphthalen-2-yl-1,2,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3-carboxylate is COC(=O)C1=C2CCCC2C(c2ccc3ccccc3c2)N1.
What is the InChIKey of methyl 1-naphthalen-2-yl-1,2,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3-carboxylate?
The InChIKey is RCIJFZCTTZAKLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO2/c1-22-19(21)18-16-8-4-7-15(16)17(20-18)14-10-9-12-5-2-3-6-13(12)11-14/h2-3,5-6,9-11,15,17,20H,4,7-8H2,1H3.
What are the key properties of methyl 1-naphthalen-2-yl-1,2,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3-carboxylate?
methyl 1-naphthalen-2-yl-1,2,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3-carboxylate has a molecular weight of 293.37 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-naphthalen-2-yl-1,2,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3-carboxylate is sourced from PubChem (CID 134925617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).