(2R)-2-amino-2-(1H-indol-3-yl)acetaldehyde

C10H10N2O — CID 175028483

IUPAC(2R)-2-amino-2-(1H-indol-3-yl)acetaldehyde
SMILESN[C@@H](C=O)c1c[nH]c2ccccc12
InChIInChI=1S/C10H10N2O/c11-9(6-13)8-5-12-10-4-2-1-3-7(8)10/h1-6,9,12H,11H2/t9-/m0/s1
InChIKeyYOIYNVPOZSWWNM-VIFPVBQESA-N
MW174.20 g/mol
LogP1.37
Rot. Bonds2

About (2R)-2-amino-2-(1H-indol-3-yl)acetaldehyde

(2R)-2-amino-2-(1H-indol-3-yl)acetaldehyde (PubChem CID 175028483) has the molecular formula C10H10N2O and a molecular weight of 174.20 g/mol. Its IUPAC name is (2R)-2-amino-2-(1H-indol-3-yl)acetaldehyde.

Molecular Properties

Compound Name(2R)-2-amino-2-(1H-indol-3-yl)acetaldehyde
PubChem CID175028483
Molecular FormulaC10H10N2O
Molecular Weight174.20 g/mol
Exact Mass174.08
IUPAC Name(2R)-2-amino-2-(1H-indol-3-yl)acetaldehyde
SMILESN[C@@H](C=O)c1c[nH]c2ccccc12
InChIInChI=1S/C10H10N2O/c11-9(6-13)8-5-12-10-4-2-1-3-7(8)10/h1-6,9,12H,11H2/t9-/m0/s1
InChIKeyYOIYNVPOZSWWNM-VIFPVBQESA-N
XLogP1.37
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(1H-indol-3-yl)prop-2-en-1-amine
CID 55294436
(1R)-1-(1H-indol-3-yl)prop-2-en-1-amine;hydrochloride
CID 171197962
2-amino-3-(1H-indol-3-yl)butanal
CID 174494789
2-amino-2-(6-chloro-1H-indol-3-yl)acetaldehyde
CID 88561394
2-amino-2-(1H-indol-3-yl)acetyl chloride
CID 88673710
(1R)-1-(1H-indol-3-yl)-2,2-dimethylpropan-1-amine
CID 131535143
(1R)-2,2,2-trifluoro-1-(1H-indol-3-yl)ethanamine
CID 42553559
1-(1H-indol-3-yl)-N',N'-dimethylmethanediamine
CID 116909089
2-amino-3-(1H-indol-3-yl)propanal;methanol
CID 144925794
2-[bis(1H-indol-3-yl)methyl]benzaldehyde
CID 100950087
[(1R)-1-(1H-indol-3-yl)-2-methoxy-2-oxoethyl]azanium
CID 2374175
(1S)-1-(1H-indol-3-yl)but-3-en-1-amine
CID 55270742

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-(1H-indol-3-yl)acetaldehyde?
The IUPAC name of (2R)-2-amino-2-(1H-indol-3-yl)acetaldehyde (CID 175028483) is (2R)-2-amino-2-(1H-indol-3-yl)acetaldehyde.
What is the SMILES notation for (2R)-2-amino-2-(1H-indol-3-yl)acetaldehyde?
The canonical SMILES for (2R)-2-amino-2-(1H-indol-3-yl)acetaldehyde is N[C@@H](C=O)c1c[nH]c2ccccc12.
What is the InChIKey of (2R)-2-amino-2-(1H-indol-3-yl)acetaldehyde?
The InChIKey is YOIYNVPOZSWWNM-VIFPVBQESA-N. The full InChI is InChI=1S/C10H10N2O/c11-9(6-13)8-5-12-10-4-2-1-3-7(8)10/h1-6,9,12H,11H2/t9-/m0/s1.
What are the key properties of (2R)-2-amino-2-(1H-indol-3-yl)acetaldehyde?
(2R)-2-amino-2-(1H-indol-3-yl)acetaldehyde has a molecular weight of 174.20 g/mol, XLogP of 1.37, 2 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-3-yl)acetaldehyde is sourced from PubChem (CID 175028483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).