methyl (2R)-5-(9H-fluoren-9-ylimino)pyrrolidine-2-carboxylate

C19H18N2O2 — CID 136742528

IUPACmethyl (2R)-5-(9H-fluoren-9-ylimino)pyrrolidine-2-carboxylate
SMILESCOC(=O)[C@H]1CC/C(=N/C2c3ccccc3-c3ccccc32)N1
InChIInChI=1S/C19H18N2O2/c1-23-19(22)16-10-11-17(20-16)21-18-14-8-4-2-6-12(14)13-7-3-5-9-15(13)18/h2-9,16,18H,10-11H2,1H3,(H,20,21)/t16-/m1/s1
InChIKeyLRDRAJLWJFKTLX-MRXNPFEDSA-N
MW306.37 g/mol
LogP3.08
Rot. Bonds2

About methyl (2R)-5-(9H-fluoren-9-ylimino)pyrrolidine-2-carboxylate

methyl (2R)-5-(9H-fluoren-9-ylimino)pyrrolidine-2-carboxylate (PubChem CID 136742528) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is methyl (2R)-5-(9H-fluoren-9-ylimino)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-5-(9H-fluoren-9-ylimino)pyrrolidine-2-carboxylate
PubChem CID136742528
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Namemethyl (2R)-5-(9H-fluoren-9-ylimino)pyrrolidine-2-carboxylate
SMILESCOC(=O)[C@H]1CC/C(=N/C2c3ccccc3-c3ccccc32)N1
InChIInChI=1S/C19H18N2O2/c1-23-19(22)16-10-11-17(20-16)21-18-14-8-4-2-6-12(14)13-7-3-5-9-15(13)18/h2-9,16,18H,10-11H2,1H3,(H,20,21)/t16-/m1/s1
InChIKeyLRDRAJLWJFKTLX-MRXNPFEDSA-N
XLogP3.08
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-5-(9H-fluoren-9-ylimino)pyrrolidine-2-carboxylate?
The IUPAC name of methyl (2R)-5-(9H-fluoren-9-ylimino)pyrrolidine-2-carboxylate (CID 136742528) is methyl (2R)-5-(9H-fluoren-9-ylimino)pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl (2R)-5-(9H-fluoren-9-ylimino)pyrrolidine-2-carboxylate?
The canonical SMILES for methyl (2R)-5-(9H-fluoren-9-ylimino)pyrrolidine-2-carboxylate is COC(=O)[C@H]1CC/C(=N/C2c3ccccc3-c3ccccc32)N1.
What is the InChIKey of methyl (2R)-5-(9H-fluoren-9-ylimino)pyrrolidine-2-carboxylate?
The InChIKey is LRDRAJLWJFKTLX-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-23-19(22)16-10-11-17(20-16)21-18-14-8-4-2-6-12(14)13-7-3-5-9-15(13)18/h2-9,16,18H,10-11H2,1H3,(H,20,21)/t16-/m1/s1.
What are the key properties of methyl (2R)-5-(9H-fluoren-9-ylimino)pyrrolidine-2-carboxylate?
methyl (2R)-5-(9H-fluoren-9-ylimino)pyrrolidine-2-carboxylate has a molecular weight of 306.37 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-5-(9H-fluoren-9-ylimino)pyrrolidine-2-carboxylate is sourced from PubChem (CID 136742528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).