1H-indol-3-ylmethylcyanamide

C10H9N3 — CID 145401688

IUPAC1H-indol-3-ylmethylcyanamide
SMILESN#CNCc1c[nH]c2ccccc12
InChIInChI=1S/C10H9N3/c11-7-12-5-8-6-13-10-4-2-1-3-9(8)10/h1-4,6,12-13H,5H2
InChIKeyCYJBEVQZQRBLLP-UHFFFAOYSA-N
MW171.20 g/mol
LogP1.74
Rot. Bonds2

About 1H-indol-3-ylmethylcyanamide

1H-indol-3-ylmethylcyanamide (PubChem CID 145401688) has the molecular formula C10H9N3 and a molecular weight of 171.20 g/mol. Its IUPAC name is 1H-indol-3-ylmethylcyanamide.

Molecular Properties

Compound Name1H-indol-3-ylmethylcyanamide
PubChem CID145401688
Molecular FormulaC10H9N3
Molecular Weight171.20 g/mol
Exact Mass171.08
IUPAC Name1H-indol-3-ylmethylcyanamide
SMILESN#CNCc1c[nH]c2ccccc12
InChIInChI=1S/C10H9N3/c11-7-12-5-8-6-13-10-4-2-1-3-9(8)10/h1-4,6,12-13H,5H2
InChIKeyCYJBEVQZQRBLLP-UHFFFAOYSA-N
XLogP1.74
TPSA51.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Related Compounds

2-(1H-indol-3-ylmethylamino)propanenitrile
CID 115130152
3-(1H-indol-3-ylmethylamino)-2-methylpropanenitrile
CID 62646036
(1H-indol-3-ylmethylamino)methanol
CID 115228988
2-[4-(1H-indol-3-ylmethylamino)phenyl]acetonitrile
CID 60681635
2-(1H-indol-3-ylmethyl)-1,1-dimethylhydrazine
CID 83003617
2-(1H-indol-3-ylmethyl)prop-2-enenitrile
CID 101351903
3-[4-(1H-indol-3-yl)butyl]-1H-indole
CID 57060044
CID 135044640
CID 135044640
2-fluoro-5-(1H-indol-3-ylmethylamino)benzonitrile
CID 62326498
(2S)-2-(cyanoamino)-3-(1H-indol-3-yl)propanoic acid
CID 87366528
N-hydroxy-2-(1H-indol-3-yl)acetamide
CID 13058633
4-bromo-N-(1H-indol-3-ylmethyl)aniline
CID 672214

Frequently Asked Questions

What is the IUPAC name of 1H-indol-3-ylmethylcyanamide?
The IUPAC name of 1H-indol-3-ylmethylcyanamide (CID 145401688) is 1H-indol-3-ylmethylcyanamide.
What is the SMILES notation for 1H-indol-3-ylmethylcyanamide?
The canonical SMILES for 1H-indol-3-ylmethylcyanamide is N#CNCc1c[nH]c2ccccc12.
What is the InChIKey of 1H-indol-3-ylmethylcyanamide?
The InChIKey is CYJBEVQZQRBLLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3/c11-7-12-5-8-6-13-10-4-2-1-3-9(8)10/h1-4,6,12-13H,5H2.
What are the key properties of 1H-indol-3-ylmethylcyanamide?
1H-indol-3-ylmethylcyanamide has a molecular weight of 171.20 g/mol, XLogP of 1.74, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-3-ylmethylcyanamide is sourced from PubChem (CID 145401688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).