dimethyl (2R,5S)-5-methyl-2-naphthalen-2-yl-1,2-dihydropyrrole-3,5-dicarboxylate

C19H19NO4 — CID 10936260

IUPACdimethyl (2R,5S)-5-methyl-2-naphthalen-2-yl-1,2-dihydropyrrole-3,5-dicarboxylate
SMILESCOC(=O)C1=C[C@@](C)(C(=O)OC)N[C@@H]1c1ccc2ccccc2c1
InChIInChI=1S/C19H19NO4/c1-19(18(22)24-3)11-15(17(21)23-2)16(20-19)14-9-8-12-6-4-5-7-13(12)10-14/h4-11,16,20H,1-3H3/t16-,19+/m1/s1
InChIKeyXNNIDDIDDNDZQU-APWZRJJASA-N
MW325.36 g/mol
LogP2.52
Rot. Bonds3

About dimethyl (2R,5S)-5-methyl-2-naphthalen-2-yl-1,2-dihydropyrrole-3,5-dicarboxylate

dimethyl (2R,5S)-5-methyl-2-naphthalen-2-yl-1,2-dihydropyrrole-3,5-dicarboxylate (PubChem CID 10936260) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is dimethyl (2R,5S)-5-methyl-2-naphthalen-2-yl-1,2-dihydropyrrole-3,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl (2R,5S)-5-methyl-2-naphthalen-2-yl-1,2-dihydropyrrole-3,5-dicarboxylate
PubChem CID10936260
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Namedimethyl (2R,5S)-5-methyl-2-naphthalen-2-yl-1,2-dihydropyrrole-3,5-dicarboxylate
SMILESCOC(=O)C1=C[C@@](C)(C(=O)OC)N[C@@H]1c1ccc2ccccc2c1
InChIInChI=1S/C19H19NO4/c1-19(18(22)24-3)11-15(17(21)23-2)16(20-19)14-9-8-12-6-4-5-7-13(12)10-14/h4-11,16,20H,1-3H3/t16-,19+/m1/s1
InChIKeyXNNIDDIDDNDZQU-APWZRJJASA-N
XLogP2.52
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of dimethyl (2R,5S)-5-methyl-2-naphthalen-2-yl-1,2-dihydropyrrole-3,5-dicarboxylate?
The IUPAC name of dimethyl (2R,5S)-5-methyl-2-naphthalen-2-yl-1,2-dihydropyrrole-3,5-dicarboxylate (CID 10936260) is dimethyl (2R,5S)-5-methyl-2-naphthalen-2-yl-1,2-dihydropyrrole-3,5-dicarboxylate.
What is the SMILES notation for dimethyl (2R,5S)-5-methyl-2-naphthalen-2-yl-1,2-dihydropyrrole-3,5-dicarboxylate?
The canonical SMILES for dimethyl (2R,5S)-5-methyl-2-naphthalen-2-yl-1,2-dihydropyrrole-3,5-dicarboxylate is COC(=O)C1=C[C@@](C)(C(=O)OC)N[C@@H]1c1ccc2ccccc2c1.
What is the InChIKey of dimethyl (2R,5S)-5-methyl-2-naphthalen-2-yl-1,2-dihydropyrrole-3,5-dicarboxylate?
The InChIKey is XNNIDDIDDNDZQU-APWZRJJASA-N. The full InChI is InChI=1S/C19H19NO4/c1-19(18(22)24-3)11-15(17(21)23-2)16(20-19)14-9-8-12-6-4-5-7-13(12)10-14/h4-11,16,20H,1-3H3/t16-,19+/m1/s1.
What are the key properties of dimethyl (2R,5S)-5-methyl-2-naphthalen-2-yl-1,2-dihydropyrrole-3,5-dicarboxylate?
dimethyl (2R,5S)-5-methyl-2-naphthalen-2-yl-1,2-dihydropyrrole-3,5-dicarboxylate has a molecular weight of 325.36 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (2R,5S)-5-methyl-2-naphthalen-2-yl-1,2-dihydropyrrole-3,5-dicarboxylate is sourced from PubChem (CID 10936260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).