2,3-dihydroindol-1-ylmethylidenecyanamide

C10H9N3 — CID 119091299

IUPAC2,3-dihydroindol-1-ylmethylidenecyanamide
SMILESN#C/N=C/N1CCc2ccccc21
InChIInChI=1S/C10H9N3/c11-7-12-8-13-6-5-9-3-1-2-4-10(9)13/h1-4,8H,5-6H2/b12-8+
InChIKeyPLEOECMSMYXXHN-XYOKQWHBSA-N
MW171.20 g/mol
LogP1.56
Rot. Bonds1

About 2,3-dihydroindol-1-ylmethylidenecyanamide

2,3-dihydroindol-1-ylmethylidenecyanamide (PubChem CID 119091299) has the molecular formula C10H9N3 and a molecular weight of 171.20 g/mol. Its IUPAC name is 2,3-dihydroindol-1-ylmethylidenecyanamide.

Molecular Properties

Compound Name2,3-dihydroindol-1-ylmethylidenecyanamide
PubChem CID119091299
Molecular FormulaC10H9N3
Molecular Weight171.20 g/mol
Exact Mass171.08
IUPAC Name2,3-dihydroindol-1-ylmethylidenecyanamide
SMILESN#C/N=C/N1CCc2ccccc21
InChIInChI=1S/C10H9N3/c11-7-12-8-13-6-5-9-3-1-2-4-10(9)13/h1-4,8H,5-6H2/b12-8+
InChIKeyPLEOECMSMYXXHN-XYOKQWHBSA-N
XLogP1.56
TPSA39.39 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

Deoxypeganine
CID 442894
1H,2H,3H,9H-pyrrolo[2,1-b]quinazoline hydrochloride
CID 3046290
1-Methyl-2,3-dihydro-1H-indole
CID 55830
2-(4,5-dihydro-1H-imidazol-2-yl)-1-methyl-2,3-dihydroindole
CID 10219857
2-(4,5-dihydro-1H-imidazol-2-yl)-1-prop-2-enyl-2,3-dihydroindole
CID 13473021
2-(4,5-Dihydro-1H-imidazol-2-yl)-1-ethyl-2,3-dihydro-1H-indole
CID 13869744
2,3-Dihydro-indole-1-carboxamidine
CID 12253764
1-Nitrosoindoline
CID 24274
2-(4,5-Dihydro-1H-imidazol-2-yl)-1-propyl-2,3-dihydro-1H-indole
CID 13473017
2-(2,3-dihydroindol-1-yl)-N,N-dimethylethanamine
CID 744368
N-(3-Ethyl-phenyl)-2,3-dihydro-indole-1-carboxamidine
CID 11777643
1-butyl-2-(4,5-dihydro-1H-imidazol-2-yl)-2,3-dihydroindole
CID 13473015

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-ylmethylidenecyanamide?
The IUPAC name of 2,3-dihydroindol-1-ylmethylidenecyanamide (CID 119091299) is 2,3-dihydroindol-1-ylmethylidenecyanamide.
What is the SMILES notation for 2,3-dihydroindol-1-ylmethylidenecyanamide?
The canonical SMILES for 2,3-dihydroindol-1-ylmethylidenecyanamide is N#C/N=C/N1CCc2ccccc21.
What is the InChIKey of 2,3-dihydroindol-1-ylmethylidenecyanamide?
The InChIKey is PLEOECMSMYXXHN-XYOKQWHBSA-N. The full InChI is InChI=1S/C10H9N3/c11-7-12-8-13-6-5-9-3-1-2-4-10(9)13/h1-4,8H,5-6H2/b12-8+.
What are the key properties of 2,3-dihydroindol-1-ylmethylidenecyanamide?
2,3-dihydroindol-1-ylmethylidenecyanamide has a molecular weight of 171.20 g/mol, XLogP of 1.56, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroindol-1-ylmethylidenecyanamide is sourced from PubChem (CID 119091299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).