1-indol-1-yl-3-pyrrolidin-1-ylpropan-2-ol;oxalic acid

C17H22N2O5 — CID 2966711

IUPAC1-indol-1-yl-3-pyrrolidin-1-ylpropan-2-ol;oxalic acid
SMILESO=C(O)C(=O)O.OC(CN1CCCC1)Cn1ccc2ccccc21
InChIInChI=1S/C15H20N2O.C2H2O4/c18-14(11-16-8-3-4-9-16)12-17-10-7-13-5-1-2-6-15(13)17;3-1(4)2(5)6/h1-2,5-7,10,14,18H,3-4,8-9,11-12H2;(H,3,4)(H,5,6)
InChIKeyMBEJBSHXVCXXGN-UHFFFAOYSA-N
MW334.37 g/mol
LogP1.25
Rot. Bonds4

About 1-indol-1-yl-3-pyrrolidin-1-ylpropan-2-ol;oxalic acid

1-indol-1-yl-3-pyrrolidin-1-ylpropan-2-ol;oxalic acid (PubChem CID 2966711) has the molecular formula C17H22N2O5 and a molecular weight of 334.37 g/mol. Its IUPAC name is 1-indol-1-yl-3-pyrrolidin-1-ylpropan-2-ol;oxalic acid.

Molecular Properties

Compound Name1-indol-1-yl-3-pyrrolidin-1-ylpropan-2-ol;oxalic acid
PubChem CID2966711
Molecular FormulaC17H22N2O5
Molecular Weight334.37 g/mol
Exact Mass334.15
IUPAC Name1-indol-1-yl-3-pyrrolidin-1-ylpropan-2-ol;oxalic acid
SMILESO=C(O)C(=O)O.OC(CN1CCCC1)Cn1ccc2ccccc21
InChIInChI=1S/C15H20N2O.C2H2O4/c18-14(11-16-8-3-4-9-16)12-17-10-7-13-5-1-2-6-15(13)17;3-1(4)2(5)6/h1-2,5-7,10,14,18H,3-4,8-9,11-12H2;(H,3,4)(H,5,6)
InChIKeyMBEJBSHXVCXXGN-UHFFFAOYSA-N
XLogP1.25
TPSA103.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-indol-1-yl-3-pyrrolidin-1-ylpropan-2-ol;oxalic acid?
The IUPAC name of 1-indol-1-yl-3-pyrrolidin-1-ylpropan-2-ol;oxalic acid (CID 2966711) is 1-indol-1-yl-3-pyrrolidin-1-ylpropan-2-ol;oxalic acid.
What is the SMILES notation for 1-indol-1-yl-3-pyrrolidin-1-ylpropan-2-ol;oxalic acid?
The canonical SMILES for 1-indol-1-yl-3-pyrrolidin-1-ylpropan-2-ol;oxalic acid is O=C(O)C(=O)O.OC(CN1CCCC1)Cn1ccc2ccccc21.
What is the InChIKey of 1-indol-1-yl-3-pyrrolidin-1-ylpropan-2-ol;oxalic acid?
The InChIKey is MBEJBSHXVCXXGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O.C2H2O4/c18-14(11-16-8-3-4-9-16)12-17-10-7-13-5-1-2-6-15(13)17;3-1(4)2(5)6/h1-2,5-7,10,14,18H,3-4,8-9,11-12H2;(H,3,4)(H,5,6).
What are the key properties of 1-indol-1-yl-3-pyrrolidin-1-ylpropan-2-ol;oxalic acid?
1-indol-1-yl-3-pyrrolidin-1-ylpropan-2-ol;oxalic acid has a molecular weight of 334.37 g/mol, XLogP of 1.25, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-indol-1-yl-3-pyrrolidin-1-ylpropan-2-ol;oxalic acid is sourced from PubChem (CID 2966711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).