(2R)-2-amino-2-(1H-indol-5-yl)acetonitrile

C10H9N3 — CID 131106135

IUPAC(2R)-2-amino-2-(1H-indol-5-yl)acetonitrile
SMILESN#C[C@H](N)c1ccc2[nH]ccc2c1
InChIInChI=1S/C10H9N3/c11-6-9(12)7-1-2-10-8(5-7)3-4-13-10/h1-5,9,13H,12H2/t9-/m0/s1
InChIKeyWTIDAUJSHOAQBW-VIFPVBQESA-N
MW171.20 g/mol
LogP1.69
Rot. Bonds1

About (2R)-2-amino-2-(1H-indol-5-yl)acetonitrile

(2R)-2-amino-2-(1H-indol-5-yl)acetonitrile (PubChem CID 131106135) has the molecular formula C10H9N3 and a molecular weight of 171.20 g/mol. Its IUPAC name is (2R)-2-amino-2-(1H-indol-5-yl)acetonitrile.

Molecular Properties

Compound Name(2R)-2-amino-2-(1H-indol-5-yl)acetonitrile
PubChem CID131106135
Molecular FormulaC10H9N3
Molecular Weight171.20 g/mol
Exact Mass171.08
IUPAC Name(2R)-2-amino-2-(1H-indol-5-yl)acetonitrile
SMILESN#C[C@H](N)c1ccc2[nH]ccc2c1
InChIInChI=1S/C10H9N3/c11-6-9(12)7-1-2-10-8(5-7)3-4-13-10/h1-5,9,13H,12H2/t9-/m0/s1
InChIKeyWTIDAUJSHOAQBW-VIFPVBQESA-N
XLogP1.69
TPSA65.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-propan-2-yl-1H-indole
CID 10558918
4-[hydroxy(1H-indol-5-yl)methyl]benzonitrile
CID 115480990
3-amino-3-(1H-indol-5-yl)propan-1-ol
CID 55273219
5-(1-chloroethyl)-1H-indole
CID 174700849
1-(1H-indol-5-yl)-2-methoxyethanamine
CID 55270804
methyl (2R)-2-amino-2-(1H-indol-5-yl)acetate
CID 131526259
(1R)-1-(1H-indol-5-yl)pentane-1,5-diamine;hydrochloride
CID 171205545
5-butan-2-yl-1H-indole;molecular hydrogen
CID 144711250
2-(1H-indol-5-yl)propanamide
CID 140559721
(1R)-3-amino-1-(1H-indol-5-yl)propan-1-ol
CID 96590440
(1R)-1-(1H-indol-5-yl)-N-methylethanamine
CID 55276552
1H-indol-5-yl(phenyl)methanol
CID 19042833

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-(1H-indol-5-yl)acetonitrile?
The IUPAC name of (2R)-2-amino-2-(1H-indol-5-yl)acetonitrile (CID 131106135) is (2R)-2-amino-2-(1H-indol-5-yl)acetonitrile.
What is the SMILES notation for (2R)-2-amino-2-(1H-indol-5-yl)acetonitrile?
The canonical SMILES for (2R)-2-amino-2-(1H-indol-5-yl)acetonitrile is N#C[C@H](N)c1ccc2[nH]ccc2c1.
What is the InChIKey of (2R)-2-amino-2-(1H-indol-5-yl)acetonitrile?
The InChIKey is WTIDAUJSHOAQBW-VIFPVBQESA-N. The full InChI is InChI=1S/C10H9N3/c11-6-9(12)7-1-2-10-8(5-7)3-4-13-10/h1-5,9,13H,12H2/t9-/m0/s1.
What are the key properties of (2R)-2-amino-2-(1H-indol-5-yl)acetonitrile?
(2R)-2-amino-2-(1H-indol-5-yl)acetonitrile has a molecular weight of 171.20 g/mol, XLogP of 1.69, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-(1H-indol-5-yl)acetonitrile is sourced from PubChem (CID 131106135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).