[2,6-di(propan-2-yl)phenyl] pyrrolidine-1-carboxylate

C17H25NO2 — CID 67493330

IUPAC[2,6-di(propan-2-yl)phenyl] pyrrolidine-1-carboxylate
SMILESCC(C)c1cccc(C(C)C)c1OC(=O)N1CCCC1
InChIInChI=1S/C17H25NO2/c1-12(2)14-8-7-9-15(13(3)4)16(14)20-17(19)18-10-5-6-11-18/h7-9,12-13H,5-6,10-11H2,1-4H3
InChIKeyVTKYDOROXSMWDA-UHFFFAOYSA-N
MW275.39 g/mol
LogP4.53
Rot. Bonds3

About [2,6-di(propan-2-yl)phenyl] pyrrolidine-1-carboxylate

[2,6-di(propan-2-yl)phenyl] pyrrolidine-1-carboxylate (PubChem CID 67493330) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is [2,6-di(propan-2-yl)phenyl] pyrrolidine-1-carboxylate.

Molecular Properties

Compound Name[2,6-di(propan-2-yl)phenyl] pyrrolidine-1-carboxylate
PubChem CID67493330
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name[2,6-di(propan-2-yl)phenyl] pyrrolidine-1-carboxylate
SMILESCC(C)c1cccc(C(C)C)c1OC(=O)N1CCCC1
InChIInChI=1S/C17H25NO2/c1-12(2)14-8-7-9-15(13(3)4)16(14)20-17(19)18-10-5-6-11-18/h7-9,12-13H,5-6,10-11H2,1-4H3
InChIKeyVTKYDOROXSMWDA-UHFFFAOYSA-N
XLogP4.53
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[6-methyl-3-propan-2-yl-2-(pyrrolidine-1-carbonyloxy)phenyl] pyrrolidine-1-carboxylate
CID 118272508
(2-methyl-3-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone
CID 58290282
[2,6-di(propan-2-yl)phenyl] N-hydroxycarbamate
CID 117064047
3-oxo-N-(2-propan-2-ylphenyl)-3-pyrrolidin-1-ylpropanamide
CID 108942028
3-oxo-3-piperidin-1-yl-N-(2-propan-2-ylphenyl)propanamide
CID 108942407
2-(2-methyl-6-propan-2-ylanilino)-1-pyrrolidin-1-ylethanone
CID 108993428
(2-butan-2-yl-6-propan-2-ylphenyl) acetate
CID 172616842
N-[2,6-di(propan-2-yl)phenyl]-N-(2-oxo-2-piperidin-1-ylethyl)acetamide
CID 113178550
ethane;(4-methylnaphthalen-1-yl) piperidine-1-carboxylate
CID 142555031
N-(2-hydroxy-3-propan-2-ylphenyl)pyrrolidine-1-carboxamide
CID 91801800
[2-(1-cyclopropylethyl)-6-propan-2-ylphenyl] hydrogen carbonate
CID 118899055
N-[2,6-di(propan-2-yl)phenyl]-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109145734

Frequently Asked Questions

What is the IUPAC name of [2,6-di(propan-2-yl)phenyl] pyrrolidine-1-carboxylate?
The IUPAC name of [2,6-di(propan-2-yl)phenyl] pyrrolidine-1-carboxylate (CID 67493330) is [2,6-di(propan-2-yl)phenyl] pyrrolidine-1-carboxylate.
What is the SMILES notation for [2,6-di(propan-2-yl)phenyl] pyrrolidine-1-carboxylate?
The canonical SMILES for [2,6-di(propan-2-yl)phenyl] pyrrolidine-1-carboxylate is CC(C)c1cccc(C(C)C)c1OC(=O)N1CCCC1.
What is the InChIKey of [2,6-di(propan-2-yl)phenyl] pyrrolidine-1-carboxylate?
The InChIKey is VTKYDOROXSMWDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-12(2)14-8-7-9-15(13(3)4)16(14)20-17(19)18-10-5-6-11-18/h7-9,12-13H,5-6,10-11H2,1-4H3.
What are the key properties of [2,6-di(propan-2-yl)phenyl] pyrrolidine-1-carboxylate?
[2,6-di(propan-2-yl)phenyl] pyrrolidine-1-carboxylate has a molecular weight of 275.39 g/mol, XLogP of 4.53, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2,6-di(propan-2-yl)phenyl] pyrrolidine-1-carboxylate is sourced from PubChem (CID 67493330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).