3-[(2R)-2-aminoindol-2-yl]propan-1-ol

C11H14N2O — CID 150073251

IUPAC3-[(2R)-2-aminoindol-2-yl]propan-1-ol
SMILESN[C@@]1(CCCO)C=c2ccccc2=N1
InChIInChI=1S/C11H14N2O/c12-11(6-3-7-14)8-9-4-1-2-5-10(9)13-11/h1-2,4-5,8,14H,3,6-7,12H2/t11-/m1/s1
InChIKeyDPSKEANMPUHIEQ-LLVKDONJSA-N
MW190.25 g/mol
LogP-0.47
Rot. Bonds3

About 3-[(2R)-2-aminoindol-2-yl]propan-1-ol

3-[(2R)-2-aminoindol-2-yl]propan-1-ol (PubChem CID 150073251) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 3-[(2R)-2-aminoindol-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[(2R)-2-aminoindol-2-yl]propan-1-ol
PubChem CID150073251
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name3-[(2R)-2-aminoindol-2-yl]propan-1-ol
SMILESN[C@@]1(CCCO)C=c2ccccc2=N1
InChIInChI=1S/C11H14N2O/c12-11(6-3-7-14)8-9-4-1-2-5-10(9)13-11/h1-2,4-5,8,14H,3,6-7,12H2/t11-/m1/s1
InChIKeyDPSKEANMPUHIEQ-LLVKDONJSA-N
XLogP-0.47
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-2-aminoindol-2-yl]propan-1-ol?
The IUPAC name of 3-[(2R)-2-aminoindol-2-yl]propan-1-ol (CID 150073251) is 3-[(2R)-2-aminoindol-2-yl]propan-1-ol.
What is the SMILES notation for 3-[(2R)-2-aminoindol-2-yl]propan-1-ol?
The canonical SMILES for 3-[(2R)-2-aminoindol-2-yl]propan-1-ol is N[C@@]1(CCCO)C=c2ccccc2=N1.
What is the InChIKey of 3-[(2R)-2-aminoindol-2-yl]propan-1-ol?
The InChIKey is DPSKEANMPUHIEQ-LLVKDONJSA-N. The full InChI is InChI=1S/C11H14N2O/c12-11(6-3-7-14)8-9-4-1-2-5-10(9)13-11/h1-2,4-5,8,14H,3,6-7,12H2/t11-/m1/s1.
What are the key properties of 3-[(2R)-2-aminoindol-2-yl]propan-1-ol?
3-[(2R)-2-aminoindol-2-yl]propan-1-ol has a molecular weight of 190.25 g/mol, XLogP of -0.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-2-aminoindol-2-yl]propan-1-ol is sourced from PubChem (CID 150073251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).