[2,6-di(propan-2-yl)phenyl] 2-pyrrolidin-1-ylacetate

C18H27NO2 — CID 10062776

IUPAC[2,6-di(propan-2-yl)phenyl] 2-pyrrolidin-1-ylacetate
SMILESCC(C)c1cccc(C(C)C)c1OC(=O)CN1CCCC1
InChIInChI=1S/C18H27NO2/c1-13(2)15-8-7-9-16(14(3)4)18(15)21-17(20)12-19-10-5-6-11-19/h7-9,13-14H,5-6,10-12H2,1-4H3
InChIKeyYAMRAZWHCPEMMU-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.93
Rot. Bonds5

About [2,6-di(propan-2-yl)phenyl] 2-pyrrolidin-1-ylacetate

[2,6-di(propan-2-yl)phenyl] 2-pyrrolidin-1-ylacetate (PubChem CID 10062776) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is [2,6-di(propan-2-yl)phenyl] 2-pyrrolidin-1-ylacetate.

Molecular Properties

Compound Name[2,6-di(propan-2-yl)phenyl] 2-pyrrolidin-1-ylacetate
PubChem CID10062776
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name[2,6-di(propan-2-yl)phenyl] 2-pyrrolidin-1-ylacetate
SMILESCC(C)c1cccc(C(C)C)c1OC(=O)CN1CCCC1
InChIInChI=1S/C18H27NO2/c1-13(2)15-8-7-9-16(14(3)4)18(15)21-17(20)12-19-10-5-6-11-19/h7-9,13-14H,5-6,10-12H2,1-4H3
InChIKeyYAMRAZWHCPEMMU-UHFFFAOYSA-N
XLogP3.93
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [2,6-di(propan-2-yl)phenyl] 2-pyrrolidin-1-ylacetate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2,6-di(propan-2-yl)phenyl] 2-pyrrolidin-1-ylacetate?
The IUPAC name of [2,6-di(propan-2-yl)phenyl] 2-pyrrolidin-1-ylacetate (CID 10062776) is [2,6-di(propan-2-yl)phenyl] 2-pyrrolidin-1-ylacetate.
What is the SMILES notation for [2,6-di(propan-2-yl)phenyl] 2-pyrrolidin-1-ylacetate?
The canonical SMILES for [2,6-di(propan-2-yl)phenyl] 2-pyrrolidin-1-ylacetate is CC(C)c1cccc(C(C)C)c1OC(=O)CN1CCCC1.
What is the InChIKey of [2,6-di(propan-2-yl)phenyl] 2-pyrrolidin-1-ylacetate?
The InChIKey is YAMRAZWHCPEMMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-13(2)15-8-7-9-16(14(3)4)18(15)21-17(20)12-19-10-5-6-11-19/h7-9,13-14H,5-6,10-12H2,1-4H3.
What are the key properties of [2,6-di(propan-2-yl)phenyl] 2-pyrrolidin-1-ylacetate?
[2,6-di(propan-2-yl)phenyl] 2-pyrrolidin-1-ylacetate has a molecular weight of 289.42 g/mol, XLogP of 3.93, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2,6-di(propan-2-yl)phenyl] 2-pyrrolidin-1-ylacetate is sourced from PubChem (CID 10062776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).