methyl 2-(1-phenylprop-2-enyl)pyrrolidine-1-carboxylate

C15H19NO2 — CID 86090306

IUPACmethyl 2-(1-phenylprop-2-enyl)pyrrolidine-1-carboxylate
SMILESC=CC(c1ccccc1)C1CCCN1C(=O)OC
InChIInChI=1S/C15H19NO2/c1-3-13(12-8-5-4-6-9-12)14-10-7-11-16(14)15(17)18-2/h3-6,8-9,13-14H,1,7,10-11H2,2H3
InChIKeyLPOLCIPOSDIOMI-UHFFFAOYSA-N
MW245.32 g/mol
LogP3.19
Rot. Bonds3

About methyl 2-(1-phenylprop-2-enyl)pyrrolidine-1-carboxylate

methyl 2-(1-phenylprop-2-enyl)pyrrolidine-1-carboxylate (PubChem CID 86090306) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is methyl 2-(1-phenylprop-2-enyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-(1-phenylprop-2-enyl)pyrrolidine-1-carboxylate
PubChem CID86090306
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Namemethyl 2-(1-phenylprop-2-enyl)pyrrolidine-1-carboxylate
SMILESC=CC(c1ccccc1)C1CCCN1C(=O)OC
InChIInChI=1S/C15H19NO2/c1-3-13(12-8-5-4-6-9-12)14-10-7-11-16(14)15(17)18-2/h3-6,8-9,13-14H,1,7,10-11H2,2H3
InChIKeyLPOLCIPOSDIOMI-UHFFFAOYSA-N
XLogP3.19
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 2-(1-phenylprop-2-enyl)pyrrolidine-1-carboxylate
CID 15320734
methyl 2-(1,3-dioxo-1-phenylbutan-2-yl)pyrrolidine-1-carboxylate
CID 86230438
methyl 2-(2-phenylethynyl)pyrrolidine-1-carboxylate
CID 11253195
tert-butyl (2S)-2-[(1S)-2-methoxy-2-oxo-1-phenylethyl]piperidine-1-carboxylate
CID 11067588
tert-butyl (2S)-2-[(S)-amino(phenyl)methyl]pyrrolidine-1-carboxylate
CID 95479256
benzyl (2S)-2-(1-bromoethyl)pyrrolidine-1-carboxylate
CID 67770305
2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]-2-phenylacetic acid
CID 58913468
benzyl (2S)-2-[(E,1R)-1-hydroxy-4-methoxy-4-oxobut-2-enyl]pyrrolidine-1-carboxylate
CID 71512342
tert-butyl (2S)-2-(1-anilinobut-3-enyl)pyrrolidine-1-carboxylate
CID 53496142
azane;2-[2-(1-phenylprop-2-enyl)piperidin-1-yl]ethanol;hydrochloride
CID 173061268
1-[2-[nitro(phenyl)methyl]pyrrolidin-1-yl]prop-2-en-1-one
CID 58567904
2-(prop-1-en-2-ylamino)ethyl 2-(2-methoxy-2-oxo-1-phenylethyl)piperidine-1-carboxylate
CID 89400071

Frequently Asked Questions

What is the IUPAC name of methyl 2-(1-phenylprop-2-enyl)pyrrolidine-1-carboxylate?
The IUPAC name of methyl 2-(1-phenylprop-2-enyl)pyrrolidine-1-carboxylate (CID 86090306) is methyl 2-(1-phenylprop-2-enyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for methyl 2-(1-phenylprop-2-enyl)pyrrolidine-1-carboxylate?
The canonical SMILES for methyl 2-(1-phenylprop-2-enyl)pyrrolidine-1-carboxylate is C=CC(c1ccccc1)C1CCCN1C(=O)OC.
What is the InChIKey of methyl 2-(1-phenylprop-2-enyl)pyrrolidine-1-carboxylate?
The InChIKey is LPOLCIPOSDIOMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-3-13(12-8-5-4-6-9-12)14-10-7-11-16(14)15(17)18-2/h3-6,8-9,13-14H,1,7,10-11H2,2H3.
What are the key properties of methyl 2-(1-phenylprop-2-enyl)pyrrolidine-1-carboxylate?
methyl 2-(1-phenylprop-2-enyl)pyrrolidine-1-carboxylate has a molecular weight of 245.32 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1-phenylprop-2-enyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 86090306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).