indol-2-ylidenecyanamide

C9H5N3 — CID 42635632

IUPACindol-2-ylidenecyanamide
SMILESN#C/N=C1/C=c2ccccc2=N1
InChIInChI=1S/C9H5N3/c10-6-11-9-5-7-3-1-2-4-8(7)12-9/h1-5H/b11-9-
InChIKeyDVCSDZOVVLLAKL-LUAWRHEFSA-N
MW155.16 g/mol
LogP-0.02
Rot. Bonds

About indol-2-ylidenecyanamide

indol-2-ylidenecyanamide (PubChem CID 42635632) has the molecular formula C9H5N3 and a molecular weight of 155.16 g/mol. Its IUPAC name is indol-2-ylidenecyanamide.

Molecular Properties

Compound Nameindol-2-ylidenecyanamide
PubChem CID42635632
Molecular FormulaC9H5N3
Molecular Weight155.16 g/mol
Exact Mass155.05
IUPAC Nameindol-2-ylidenecyanamide
SMILESN#C/N=C1/C=c2ccccc2=N1
InChIInChI=1S/C9H5N3/c10-6-11-9-5-7-3-1-2-4-8(7)12-9/h1-5H/b11-9-
InChIKeyDVCSDZOVVLLAKL-LUAWRHEFSA-N
XLogP-0.02
TPSA48.51 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 5-0.02
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'}

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Frequently Asked Questions

What is the IUPAC name of indol-2-ylidenecyanamide?
The IUPAC name of indol-2-ylidenecyanamide (CID 42635632) is indol-2-ylidenecyanamide.
What is the SMILES notation for indol-2-ylidenecyanamide?
The canonical SMILES for indol-2-ylidenecyanamide is N#C/N=C1/C=c2ccccc2=N1.
What is the InChIKey of indol-2-ylidenecyanamide?
The InChIKey is DVCSDZOVVLLAKL-LUAWRHEFSA-N. The full InChI is InChI=1S/C9H5N3/c10-6-11-9-5-7-3-1-2-4-8(7)12-9/h1-5H/b11-9-.
What are the key properties of indol-2-ylidenecyanamide?
indol-2-ylidenecyanamide has a molecular weight of 155.16 g/mol, XLogP of -0.02, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for indol-2-ylidenecyanamide is sourced from PubChem (CID 42635632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).