methyl (2R)-2-prop-2-enylpyrrolidine-1-carboxylate

C9H15NO2 — CID 11715239

IUPACmethyl (2R)-2-prop-2-enylpyrrolidine-1-carboxylate
SMILESC=CC[C@H]1CCCN1C(=O)OC
InChIInChI=1S/C9H15NO2/c1-3-5-8-6-4-7-10(8)9(11)12-2/h3,8H,1,4-7H2,2H3/t8-/m0/s1
InChIKeyFWCGMQPHDKWTFI-QMMMGPOBSA-N
MW169.22 g/mol
LogP1.79
Rot. Bonds2

About methyl (2R)-2-prop-2-enylpyrrolidine-1-carboxylate

methyl (2R)-2-prop-2-enylpyrrolidine-1-carboxylate (PubChem CID 11715239) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is methyl (2R)-2-prop-2-enylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-2-prop-2-enylpyrrolidine-1-carboxylate
PubChem CID11715239
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Namemethyl (2R)-2-prop-2-enylpyrrolidine-1-carboxylate
SMILESC=CC[C@H]1CCCN1C(=O)OC
InChIInChI=1S/C9H15NO2/c1-3-5-8-6-4-7-10(8)9(11)12-2/h3,8H,1,4-7H2,2H3/t8-/m0/s1
InChIKeyFWCGMQPHDKWTFI-QMMMGPOBSA-N
XLogP1.79
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (2R)-2-prop-2-enylpyrrolidine-1-carboxylate?
The IUPAC name of methyl (2R)-2-prop-2-enylpyrrolidine-1-carboxylate (CID 11715239) is methyl (2R)-2-prop-2-enylpyrrolidine-1-carboxylate.
What is the SMILES notation for methyl (2R)-2-prop-2-enylpyrrolidine-1-carboxylate?
The canonical SMILES for methyl (2R)-2-prop-2-enylpyrrolidine-1-carboxylate is C=CC[C@H]1CCCN1C(=O)OC.
What is the InChIKey of methyl (2R)-2-prop-2-enylpyrrolidine-1-carboxylate?
The InChIKey is FWCGMQPHDKWTFI-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H15NO2/c1-3-5-8-6-4-7-10(8)9(11)12-2/h3,8H,1,4-7H2,2H3/t8-/m0/s1.
What are the key properties of methyl (2R)-2-prop-2-enylpyrrolidine-1-carboxylate?
methyl (2R)-2-prop-2-enylpyrrolidine-1-carboxylate has a molecular weight of 169.22 g/mol, XLogP of 1.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-prop-2-enylpyrrolidine-1-carboxylate is sourced from PubChem (CID 11715239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).