2-aminoacetonitrile;1H-indole

C10H11N3 — CID 174544164

IUPAC2-aminoacetonitrile;1H-indole
SMILESN#CCN.c1ccc2[nH]ccc2c1
InChIInChI=1S/C8H7N.C2H4N2/c1-2-4-8-7(3-1)5-6-9-8;3-1-2-4/h1-6,9H;1,3H2
InChIKeySKJQONNURSNZHH-UHFFFAOYSA-N
MW173.22 g/mol
LogP1.64
Rot. Bonds

About 2-aminoacetonitrile;1H-indole

2-aminoacetonitrile;1H-indole (PubChem CID 174544164) has the molecular formula C10H11N3 and a molecular weight of 173.22 g/mol. Its IUPAC name is 2-aminoacetonitrile;1H-indole.

Molecular Properties

Compound Name2-aminoacetonitrile;1H-indole
PubChem CID174544164
Molecular FormulaC10H11N3
Molecular Weight173.22 g/mol
Exact Mass173.10
IUPAC Name2-aminoacetonitrile;1H-indole
SMILESN#CCN.c1ccc2[nH]ccc2c1
InChIInChI=1S/C8H7N.C2H4N2/c1-2-4-8-7(3-1)5-6-9-8;3-1-2-4/h1-6,9H;1,3H2
InChIKeySKJQONNURSNZHH-UHFFFAOYSA-N
XLogP1.64
TPSA65.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-aminoacetonitrile;1H-indole?
The IUPAC name of 2-aminoacetonitrile;1H-indole (CID 174544164) is 2-aminoacetonitrile;1H-indole.
What is the SMILES notation for 2-aminoacetonitrile;1H-indole?
The canonical SMILES for 2-aminoacetonitrile;1H-indole is N#CCN.c1ccc2[nH]ccc2c1.
What is the InChIKey of 2-aminoacetonitrile;1H-indole?
The InChIKey is SKJQONNURSNZHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N.C2H4N2/c1-2-4-8-7(3-1)5-6-9-8;3-1-2-4/h1-6,9H;1,3H2.
What are the key properties of 2-aminoacetonitrile;1H-indole?
2-aminoacetonitrile;1H-indole has a molecular weight of 173.22 g/mol, XLogP of 1.64, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoacetonitrile;1H-indole is sourced from PubChem (CID 174544164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).