3-[(1R)-1-aminoethyl]-1H-indole-6-carbonitrile

C11H11N3 — CID 107917700

IUPAC3-[(1R)-1-aminoethyl]-1H-indole-6-carbonitrile
SMILESC[C@@H](N)c1c[nH]c2cc(C#N)ccc12
InChIInChI=1S/C11H11N3/c1-7(13)10-6-14-11-4-8(5-12)2-3-9(10)11/h2-4,6-7,14H,13H2,1H3/t7-/m1/s1
InChIKeyOKAPGTBOWUPRJL-SSDOTTSWSA-N
MW185.23 g/mol
LogP2.06
Rot. Bonds1

About 3-[(1R)-1-aminoethyl]-1H-indole-6-carbonitrile

3-[(1R)-1-aminoethyl]-1H-indole-6-carbonitrile (PubChem CID 107917700) has the molecular formula C11H11N3 and a molecular weight of 185.23 g/mol. Its IUPAC name is 3-[(1R)-1-aminoethyl]-1H-indole-6-carbonitrile.

Molecular Properties

Compound Name3-[(1R)-1-aminoethyl]-1H-indole-6-carbonitrile
PubChem CID107917700
Molecular FormulaC11H11N3
Molecular Weight185.23 g/mol
Exact Mass185.10
IUPAC Name3-[(1R)-1-aminoethyl]-1H-indole-6-carbonitrile
SMILESC[C@@H](N)c1c[nH]c2cc(C#N)ccc12
InChIInChI=1S/C11H11N3/c1-7(13)10-6-14-11-4-8(5-12)2-3-9(10)11/h2-4,6-7,14H,13H2,1H3/t7-/m1/s1
InChIKeyOKAPGTBOWUPRJL-SSDOTTSWSA-N
XLogP2.06
TPSA65.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-1-aminoethyl]-1H-indole-6-carbonitrile?
The IUPAC name of 3-[(1R)-1-aminoethyl]-1H-indole-6-carbonitrile (CID 107917700) is 3-[(1R)-1-aminoethyl]-1H-indole-6-carbonitrile.
What is the SMILES notation for 3-[(1R)-1-aminoethyl]-1H-indole-6-carbonitrile?
The canonical SMILES for 3-[(1R)-1-aminoethyl]-1H-indole-6-carbonitrile is C[C@@H](N)c1c[nH]c2cc(C#N)ccc12.
What is the InChIKey of 3-[(1R)-1-aminoethyl]-1H-indole-6-carbonitrile?
The InChIKey is OKAPGTBOWUPRJL-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H11N3/c1-7(13)10-6-14-11-4-8(5-12)2-3-9(10)11/h2-4,6-7,14H,13H2,1H3/t7-/m1/s1.
What are the key properties of 3-[(1R)-1-aminoethyl]-1H-indole-6-carbonitrile?
3-[(1R)-1-aminoethyl]-1H-indole-6-carbonitrile has a molecular weight of 185.23 g/mol, XLogP of 2.06, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-1-aminoethyl]-1H-indole-6-carbonitrile is sourced from PubChem (CID 107917700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).