[phenyl(pyrrolidin-2-yl)methyl] formate

C12H15NO2 — CID 174954003

IUPAC[phenyl(pyrrolidin-2-yl)methyl] formate
SMILESO=COC(c1ccccc1)C1CCCN1
InChIInChI=1S/C12H15NO2/c14-9-15-12(11-7-4-8-13-11)10-5-2-1-3-6-10/h1-3,5-6,9,11-13H,4,7-8H2
InChIKeyDOSDASINGWIASX-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.65
Rot. Bonds4

About [phenyl(pyrrolidin-2-yl)methyl] formate

[phenyl(pyrrolidin-2-yl)methyl] formate (PubChem CID 174954003) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is [phenyl(pyrrolidin-2-yl)methyl] formate.

Molecular Properties

Compound Name[phenyl(pyrrolidin-2-yl)methyl] formate
PubChem CID174954003
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name[phenyl(pyrrolidin-2-yl)methyl] formate
SMILESO=COC(c1ccccc1)C1CCCN1
InChIInChI=1S/C12H15NO2/c14-9-15-12(11-7-4-8-13-11)10-5-2-1-3-6-10/h1-3,5-6,9,11-13H,4,7-8H2
InChIKeyDOSDASINGWIASX-UHFFFAOYSA-N
XLogP1.65
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(S)-phenyl-[(2S)-piperidin-2-yl]methyl] acetate;hydrochloride
CID 71573118
phenyl-[(2R)-pyrrolidin-2-yl]methanol;hydrochloride
CID 68687169
(2R)-2-[(1R)-1-phenylethyl]pyrrolidine
CID 95732426
[phenyl-[(2S,5R)-5-(phenylmethoxyamino)piperidin-2-yl]methyl] formate
CID 175027979
2,2-diphenyl-1-pyrrolidin-2-ylethanol
CID 69294076
2,2-diphenyl-1-[(2R)-pyrrolidin-2-yl]ethanol
CID 118229705
2,2-diphenyl-1-[(2S)-pyrrolidin-2-yl]ethanol
CID 68647594
(1R)-N-methyl-1-phenyl-1-[(2S)-pyrrolidin-2-yl]methanamine
CID 132599012
(2R)-2-[(1R)-1-phenylpropyl]pyrrolidine
CID 7047901
(2R)-2-[(1S)-1-phenylpropyl]pyrrolidine
CID 7047899
(2S)-2-[(1R)-1-phenylpropyl]pyrrolidine
CID 7047905
2-(1-phenylpropyl)pyrrolidine;hydrochloride
CID 17389655

Frequently Asked Questions

What is the IUPAC name of [phenyl(pyrrolidin-2-yl)methyl] formate?
The IUPAC name of [phenyl(pyrrolidin-2-yl)methyl] formate (CID 174954003) is [phenyl(pyrrolidin-2-yl)methyl] formate.
What is the SMILES notation for [phenyl(pyrrolidin-2-yl)methyl] formate?
The canonical SMILES for [phenyl(pyrrolidin-2-yl)methyl] formate is O=COC(c1ccccc1)C1CCCN1.
What is the InChIKey of [phenyl(pyrrolidin-2-yl)methyl] formate?
The InChIKey is DOSDASINGWIASX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c14-9-15-12(11-7-4-8-13-11)10-5-2-1-3-6-10/h1-3,5-6,9,11-13H,4,7-8H2.
What are the key properties of [phenyl(pyrrolidin-2-yl)methyl] formate?
[phenyl(pyrrolidin-2-yl)methyl] formate has a molecular weight of 205.26 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [phenyl(pyrrolidin-2-yl)methyl] formate is sourced from PubChem (CID 174954003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).