1-cyano-N-[2-(2-oxo-1,3-dihydroindol-5-yl)ethyl]formamide

C12H11N3O2 — CID 115172488

IUPAC1-cyano-N-[2-(2-oxo-1,3-dihydroindol-5-yl)ethyl]formamide
SMILESN#CC(=O)NCCc1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C12H11N3O2/c13-7-12(17)14-4-3-8-1-2-10-9(5-8)6-11(16)15-10/h1-2,5H,3-4,6H2,(H,14,17)(H,15,16)
InChIKeyKKCNONKHBTWYSC-UHFFFAOYSA-N
MW229.24 g/mol
LogP0.36
Rot. Bonds3

About 1-cyano-N-[2-(2-oxo-1,3-dihydroindol-5-yl)ethyl]formamide

1-cyano-N-[2-(2-oxo-1,3-dihydroindol-5-yl)ethyl]formamide (PubChem CID 115172488) has the molecular formula C12H11N3O2 and a molecular weight of 229.24 g/mol. Its IUPAC name is 1-cyano-N-[2-(2-oxo-1,3-dihydroindol-5-yl)ethyl]formamide.

Molecular Properties

Compound Name1-cyano-N-[2-(2-oxo-1,3-dihydroindol-5-yl)ethyl]formamide
PubChem CID115172488
Molecular FormulaC12H11N3O2
Molecular Weight229.24 g/mol
Exact Mass229.09
IUPAC Name1-cyano-N-[2-(2-oxo-1,3-dihydroindol-5-yl)ethyl]formamide
SMILESN#CC(=O)NCCc1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C12H11N3O2/c13-7-12(17)14-4-3-8-1-2-10-9(5-8)6-11(16)15-10/h1-2,5H,3-4,6H2,(H,14,17)(H,15,16)
InChIKeyKKCNONKHBTWYSC-UHFFFAOYSA-N
XLogP0.36
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-cyano-N-[2-(2-oxo-1,3-dihydroindol-5-yl)ethyl]propanamide
CID 115173941
5-[2-(hydroxymethylamino)ethyl]-1,3-dihydroindol-2-one
CID 115229299
3-(4-fluorophenyl)-N-[2-(2-oxo-1,3-dihydroindol-5-yl)ethyl]propanamide
CID 110788471
5-(2-hydroxyethyl)-1,3-dihydroindol-2-one
CID 22131131
2-amino-3-hydroxy-N-[2-(2-oxo-1,3-dihydroindol-5-yl)ethyl]propanamide
CID 115180068
3-[2-(2-oxo-1,3-dihydroindol-5-yl)ethylamino]propanoic acid
CID 112518611
3,5-dimethoxy-N-[2-(2-oxo-1,3-dihydroindol-5-yl)ethyl]benzamide
CID 110788429
N-[2-(4-fluorophenyl)ethyl]-2-(2-oxo-1,3-dihydroindol-5-yl)acetamide
CID 110768108
5-[2-(hydrazinylmethylamino)ethyl]-1,3-dihydroindol-2-one
CID 115261107
5-[2-(azetidin-3-ylmethylamino)ethyl]-1,3-dihydroindol-2-one
CID 115207779
4-(dimethylamino)-N-[2-(2-oxo-1,3-dihydroindol-5-yl)ethyl]benzamide
CID 110795466
N-[2-(methylamino)ethyl]-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide;hydrochloride
CID 119502632

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-[2-(2-oxo-1,3-dihydroindol-5-yl)ethyl]formamide?
The IUPAC name of 1-cyano-N-[2-(2-oxo-1,3-dihydroindol-5-yl)ethyl]formamide (CID 115172488) is 1-cyano-N-[2-(2-oxo-1,3-dihydroindol-5-yl)ethyl]formamide.
What is the SMILES notation for 1-cyano-N-[2-(2-oxo-1,3-dihydroindol-5-yl)ethyl]formamide?
The canonical SMILES for 1-cyano-N-[2-(2-oxo-1,3-dihydroindol-5-yl)ethyl]formamide is N#CC(=O)NCCc1ccc2c(c1)CC(=O)N2.
What is the InChIKey of 1-cyano-N-[2-(2-oxo-1,3-dihydroindol-5-yl)ethyl]formamide?
The InChIKey is KKCNONKHBTWYSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2/c13-7-12(17)14-4-3-8-1-2-10-9(5-8)6-11(16)15-10/h1-2,5H,3-4,6H2,(H,14,17)(H,15,16).
What are the key properties of 1-cyano-N-[2-(2-oxo-1,3-dihydroindol-5-yl)ethyl]formamide?
1-cyano-N-[2-(2-oxo-1,3-dihydroindol-5-yl)ethyl]formamide has a molecular weight of 229.24 g/mol, XLogP of 0.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-[2-(2-oxo-1,3-dihydroindol-5-yl)ethyl]formamide is sourced from PubChem (CID 115172488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).