3-(1-formylcyclopropyl)-1H-indole-4-carbonitrile

C13H10N2O — CID 162401924

IUPAC3-(1-formylcyclopropyl)-1H-indole-4-carbonitrile
SMILESN#Cc1cccc2[nH]cc(C3(C=O)CC3)c12
InChIInChI=1S/C13H10N2O/c14-6-9-2-1-3-11-12(9)10(7-15-11)13(8-16)4-5-13/h1-3,7-8,15H,4-5H2
InChIKeyRYVYDWVWQHBANL-UHFFFAOYSA-N
MW210.24 g/mol
LogP2.27
Rot. Bonds2

About 3-(1-formylcyclopropyl)-1H-indole-4-carbonitrile

3-(1-formylcyclopropyl)-1H-indole-4-carbonitrile (PubChem CID 162401924) has the molecular formula C13H10N2O and a molecular weight of 210.24 g/mol. Its IUPAC name is 3-(1-formylcyclopropyl)-1H-indole-4-carbonitrile.

Molecular Properties

Compound Name3-(1-formylcyclopropyl)-1H-indole-4-carbonitrile
PubChem CID162401924
Molecular FormulaC13H10N2O
Molecular Weight210.24 g/mol
Exact Mass210.08
IUPAC Name3-(1-formylcyclopropyl)-1H-indole-4-carbonitrile
SMILESN#Cc1cccc2[nH]cc(C3(C=O)CC3)c12
InChIInChI=1S/C13H10N2O/c14-6-9-2-1-3-11-12(9)10(7-15-11)13(8-16)4-5-13/h1-3,7-8,15H,4-5H2
InChIKeyRYVYDWVWQHBANL-UHFFFAOYSA-N
XLogP2.27
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(1-formylcyclopropyl)-1H-indole-4-carbonitrile?
The IUPAC name of 3-(1-formylcyclopropyl)-1H-indole-4-carbonitrile (CID 162401924) is 3-(1-formylcyclopropyl)-1H-indole-4-carbonitrile.
What is the SMILES notation for 3-(1-formylcyclopropyl)-1H-indole-4-carbonitrile?
The canonical SMILES for 3-(1-formylcyclopropyl)-1H-indole-4-carbonitrile is N#Cc1cccc2[nH]cc(C3(C=O)CC3)c12.
What is the InChIKey of 3-(1-formylcyclopropyl)-1H-indole-4-carbonitrile?
The InChIKey is RYVYDWVWQHBANL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O/c14-6-9-2-1-3-11-12(9)10(7-15-11)13(8-16)4-5-13/h1-3,7-8,15H,4-5H2.
What are the key properties of 3-(1-formylcyclopropyl)-1H-indole-4-carbonitrile?
3-(1-formylcyclopropyl)-1H-indole-4-carbonitrile has a molecular weight of 210.24 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-formylcyclopropyl)-1H-indole-4-carbonitrile is sourced from PubChem (CID 162401924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).