(2Z)-2-indol-3-ylideneacetonitrile

C10H6N2 — CID 134820067

IUPAC(2Z)-2-indol-3-ylideneacetonitrile
SMILESN#C/C=C1\C=Nc2ccccc21
InChIInChI=1S/C10H6N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-5,7H/b8-5+
InChIKeyPOAVPLAOCHOOPK-VMPITWQZSA-N
MW154.17 g/mol
LogP2.31
Rot. Bonds

About (2Z)-2-indol-3-ylideneacetonitrile

(2Z)-2-indol-3-ylideneacetonitrile (PubChem CID 134820067) has the molecular formula C10H6N2 and a molecular weight of 154.17 g/mol. Its IUPAC name is (2Z)-2-indol-3-ylideneacetonitrile.

Molecular Properties

Compound Name(2Z)-2-indol-3-ylideneacetonitrile
PubChem CID134820067
Molecular FormulaC10H6N2
Molecular Weight154.17 g/mol
Exact Mass154.05
IUPAC Name(2Z)-2-indol-3-ylideneacetonitrile
SMILESN#C/C=C1\C=Nc2ccccc21
InChIInChI=1S/C10H6N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-5,7H/b8-5+
InChIKeyPOAVPLAOCHOOPK-VMPITWQZSA-N
XLogP2.31
TPSA36.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-indol-3-ylideneacetonitrile?
The IUPAC name of (2Z)-2-indol-3-ylideneacetonitrile (CID 134820067) is (2Z)-2-indol-3-ylideneacetonitrile.
What is the SMILES notation for (2Z)-2-indol-3-ylideneacetonitrile?
The canonical SMILES for (2Z)-2-indol-3-ylideneacetonitrile is N#C/C=C1\C=Nc2ccccc21.
What is the InChIKey of (2Z)-2-indol-3-ylideneacetonitrile?
The InChIKey is POAVPLAOCHOOPK-VMPITWQZSA-N. The full InChI is InChI=1S/C10H6N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-5,7H/b8-5+.
What are the key properties of (2Z)-2-indol-3-ylideneacetonitrile?
(2Z)-2-indol-3-ylideneacetonitrile has a molecular weight of 154.17 g/mol, XLogP of 2.31, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-indol-3-ylideneacetonitrile is sourced from PubChem (CID 134820067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).