methyl (2S,5S)-5-(2-methylprop-1-enyl)pyrrolidine-2-carboxylate

C10H17NO2 — CID 131190127

IUPACmethyl (2S,5S)-5-(2-methylprop-1-enyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)[C@@H]1CC[C@@H](C=C(C)C)N1
InChIInChI=1S/C10H17NO2/c1-7(2)6-8-4-5-9(11-8)10(12)13-3/h6,8-9,11H,4-5H2,1-3H3/t8-,9-/m0/s1
InChIKeyHNSXJEFHYPEESW-IUCAKERBSA-N
MW183.25 g/mol
LogP1.25
Rot. Bonds2

About methyl (2S,5S)-5-(2-methylprop-1-enyl)pyrrolidine-2-carboxylate

methyl (2S,5S)-5-(2-methylprop-1-enyl)pyrrolidine-2-carboxylate (PubChem CID 131190127) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is methyl (2S,5S)-5-(2-methylprop-1-enyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2S,5S)-5-(2-methylprop-1-enyl)pyrrolidine-2-carboxylate
PubChem CID131190127
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Namemethyl (2S,5S)-5-(2-methylprop-1-enyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)[C@@H]1CC[C@@H](C=C(C)C)N1
InChIInChI=1S/C10H17NO2/c1-7(2)6-8-4-5-9(11-8)10(12)13-3/h6,8-9,11H,4-5H2,1-3H3/t8-,9-/m0/s1
InChIKeyHNSXJEFHYPEESW-IUCAKERBSA-N
XLogP1.25
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl (2S,5S)-5-(2-methylprop-1-enyl)pyrrolidine-2-carboxylate?
The IUPAC name of methyl (2S,5S)-5-(2-methylprop-1-enyl)pyrrolidine-2-carboxylate (CID 131190127) is methyl (2S,5S)-5-(2-methylprop-1-enyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl (2S,5S)-5-(2-methylprop-1-enyl)pyrrolidine-2-carboxylate?
The canonical SMILES for methyl (2S,5S)-5-(2-methylprop-1-enyl)pyrrolidine-2-carboxylate is COC(=O)[C@@H]1CC[C@@H](C=C(C)C)N1.
What is the InChIKey of methyl (2S,5S)-5-(2-methylprop-1-enyl)pyrrolidine-2-carboxylate?
The InChIKey is HNSXJEFHYPEESW-IUCAKERBSA-N. The full InChI is InChI=1S/C10H17NO2/c1-7(2)6-8-4-5-9(11-8)10(12)13-3/h6,8-9,11H,4-5H2,1-3H3/t8-,9-/m0/s1.
What are the key properties of methyl (2S,5S)-5-(2-methylprop-1-enyl)pyrrolidine-2-carboxylate?
methyl (2S,5S)-5-(2-methylprop-1-enyl)pyrrolidine-2-carboxylate has a molecular weight of 183.25 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,5S)-5-(2-methylprop-1-enyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 131190127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).