[1-(2,3-dihydro-1H-indol-3-yl)pyrrolidin-3-yl] 2,2-dimethylpropanoate

C17H24N2O2 — CID 174897582

IUPAC[1-(2,3-dihydro-1H-indol-3-yl)pyrrolidin-3-yl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OC1CCN(C2CNc3ccccc32)C1
InChIInChI=1S/C17H24N2O2/c1-17(2,3)16(20)21-12-8-9-19(11-12)15-10-18-14-7-5-4-6-13(14)15/h4-7,12,15,18H,8-11H2,1-3H3
InChIKeyVCUBRXRSFOPBIV-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.82
Rot. Bonds2

About [1-(2,3-dihydro-1H-indol-3-yl)pyrrolidin-3-yl] 2,2-dimethylpropanoate

[1-(2,3-dihydro-1H-indol-3-yl)pyrrolidin-3-yl] 2,2-dimethylpropanoate (PubChem CID 174897582) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is [1-(2,3-dihydro-1H-indol-3-yl)pyrrolidin-3-yl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[1-(2,3-dihydro-1H-indol-3-yl)pyrrolidin-3-yl] 2,2-dimethylpropanoate
PubChem CID174897582
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name[1-(2,3-dihydro-1H-indol-3-yl)pyrrolidin-3-yl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OC1CCN(C2CNc3ccccc32)C1
InChIInChI=1S/C17H24N2O2/c1-17(2,3)16(20)21-12-8-9-19(11-12)15-10-18-14-7-5-4-6-13(14)15/h4-7,12,15,18H,8-11H2,1-3H3
InChIKeyVCUBRXRSFOPBIV-UHFFFAOYSA-N
XLogP2.82
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(2,3-dihydro-1H-indol-3-yl)pyrrolidin-3-yl] 2,2-dimethylpropanoate?
The IUPAC name of [1-(2,3-dihydro-1H-indol-3-yl)pyrrolidin-3-yl] 2,2-dimethylpropanoate (CID 174897582) is [1-(2,3-dihydro-1H-indol-3-yl)pyrrolidin-3-yl] 2,2-dimethylpropanoate.
What is the SMILES notation for [1-(2,3-dihydro-1H-indol-3-yl)pyrrolidin-3-yl] 2,2-dimethylpropanoate?
The canonical SMILES for [1-(2,3-dihydro-1H-indol-3-yl)pyrrolidin-3-yl] 2,2-dimethylpropanoate is CC(C)(C)C(=O)OC1CCN(C2CNc3ccccc32)C1.
What is the InChIKey of [1-(2,3-dihydro-1H-indol-3-yl)pyrrolidin-3-yl] 2,2-dimethylpropanoate?
The InChIKey is VCUBRXRSFOPBIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-17(2,3)16(20)21-12-8-9-19(11-12)15-10-18-14-7-5-4-6-13(14)15/h4-7,12,15,18H,8-11H2,1-3H3.
What are the key properties of [1-(2,3-dihydro-1H-indol-3-yl)pyrrolidin-3-yl] 2,2-dimethylpropanoate?
[1-(2,3-dihydro-1H-indol-3-yl)pyrrolidin-3-yl] 2,2-dimethylpropanoate has a molecular weight of 288.39 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,3-dihydro-1H-indol-3-yl)pyrrolidin-3-yl] 2,2-dimethylpropanoate is sourced from PubChem (CID 174897582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).