phenyl 1-methylpyrrolidine-2-carboxylate

C12H15NO2 — CID 57101862

IUPACphenyl 1-methylpyrrolidine-2-carboxylate
SMILESCN1CCCC1C(=O)Oc1ccccc1
InChIInChI=1S/C12H15NO2/c1-13-9-5-8-11(13)12(14)15-10-6-3-2-4-7-10/h2-4,6-7,11H,5,8-9H2,1H3
InChIKeyDCBVRTIDSOUNQC-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.69
Rot. Bonds2

About phenyl 1-methylpyrrolidine-2-carboxylate

phenyl 1-methylpyrrolidine-2-carboxylate (PubChem CID 57101862) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is phenyl 1-methylpyrrolidine-2-carboxylate.

Molecular Properties

Compound Namephenyl 1-methylpyrrolidine-2-carboxylate
PubChem CID57101862
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Namephenyl 1-methylpyrrolidine-2-carboxylate
SMILESCN1CCCC1C(=O)Oc1ccccc1
InChIInChI=1S/C12H15NO2/c1-13-9-5-8-11(13)12(14)15-10-6-3-2-4-7-10/h2-4,6-7,11H,5,8-9H2,1H3
InChIKeyDCBVRTIDSOUNQC-UHFFFAOYSA-N
XLogP1.69
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze phenyl 1-methylpyrrolidine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(1S,2S)-2-[(2S)-1-methylpyrrolidine-2-carbonyl]oxy-1,2-diphenylethyl] (2S)-1-methylpyrrolidine-2-carboxylate
CID 25157488
tert-butyl formate;(4-methylphenyl) 1-methylpyrrolidine-2-carboxylate
CID 143111338
1-(1-methylpyrrolidin-2-yl)-2-phenylethanone
CID 129033929
methyl 1-methylpyrrolidine-2-carboxylate
CID 529062
trans-diphenyl (1R,2R)-cyclohexane-1,2-dicarboxylate
CID 15685593
(2S)-1-methylpyrrolidine-2-carboxylic acid
CID 158548617
phenyl 2-methylpyrrolidine-1-carboxylate
CID 64593255
methyl (2R,3S)-1-methyl-2-phenylpiperidine-3-carboxylate
CID 150173428
phenyl 2-benzoylpyrrolidine-1-carboxylate
CID 110357683
hydron;phenyl cycloheptanecarboxylate
CID 174768034
phenyl (4aS,8aS)-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboxylate
CID 101244890
methyl 1-[chloro(phenoxy)phosphoryl]pyrrolidine-2-carboxylate
CID 76584698

Frequently Asked Questions

What is the IUPAC name of phenyl 1-methylpyrrolidine-2-carboxylate?
The IUPAC name of phenyl 1-methylpyrrolidine-2-carboxylate (CID 57101862) is phenyl 1-methylpyrrolidine-2-carboxylate.
What is the SMILES notation for phenyl 1-methylpyrrolidine-2-carboxylate?
The canonical SMILES for phenyl 1-methylpyrrolidine-2-carboxylate is CN1CCCC1C(=O)Oc1ccccc1.
What is the InChIKey of phenyl 1-methylpyrrolidine-2-carboxylate?
The InChIKey is DCBVRTIDSOUNQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-13-9-5-8-11(13)12(14)15-10-6-3-2-4-7-10/h2-4,6-7,11H,5,8-9H2,1H3.
What are the key properties of phenyl 1-methylpyrrolidine-2-carboxylate?
phenyl 1-methylpyrrolidine-2-carboxylate has a molecular weight of 205.26 g/mol, XLogP of 1.69, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 1-methylpyrrolidine-2-carboxylate is sourced from PubChem (CID 57101862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).