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

C14H15N3O2 — CID 115173941

IUPAC3-cyano-N-[2-(2-oxo-1,3-dihydroindol-5-yl)ethyl]propanamide
SMILESN#CCCC(=O)NCCc1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C14H15N3O2/c15-6-1-2-13(18)16-7-5-10-3-4-12-11(8-10)9-14(19)17-12/h3-4,8H,1-2,5,7,9H2,(H,16,18)(H,17,19)
InChIKeyUQHRZAGDIRPECR-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.14
Rot. Bonds5

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

3-cyano-N-[2-(2-oxo-1,3-dihydroindol-5-yl)ethyl]propanamide (PubChem CID 115173941) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 3-cyano-N-[2-(2-oxo-1,3-dihydroindol-5-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-cyano-N-[2-(2-oxo-1,3-dihydroindol-5-yl)ethyl]propanamide
PubChem CID115173941
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name3-cyano-N-[2-(2-oxo-1,3-dihydroindol-5-yl)ethyl]propanamide
SMILESN#CCCC(=O)NCCc1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C14H15N3O2/c15-6-1-2-13(18)16-7-5-10-3-4-12-11(8-10)9-14(19)17-12/h3-4,8H,1-2,5,7,9H2,(H,16,18)(H,17,19)
InChIKeyUQHRZAGDIRPECR-UHFFFAOYSA-N
XLogP1.14
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[2-(2-oxo-1,3-dihydroindol-5-yl)ethyl]propanamide?
The IUPAC name of 3-cyano-N-[2-(2-oxo-1,3-dihydroindol-5-yl)ethyl]propanamide (CID 115173941) is 3-cyano-N-[2-(2-oxo-1,3-dihydroindol-5-yl)ethyl]propanamide.
What is the SMILES notation for 3-cyano-N-[2-(2-oxo-1,3-dihydroindol-5-yl)ethyl]propanamide?
The canonical SMILES for 3-cyano-N-[2-(2-oxo-1,3-dihydroindol-5-yl)ethyl]propanamide is N#CCCC(=O)NCCc1ccc2c(c1)CC(=O)N2.
What is the InChIKey of 3-cyano-N-[2-(2-oxo-1,3-dihydroindol-5-yl)ethyl]propanamide?
The InChIKey is UQHRZAGDIRPECR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c15-6-1-2-13(18)16-7-5-10-3-4-12-11(8-10)9-14(19)17-12/h3-4,8H,1-2,5,7,9H2,(H,16,18)(H,17,19).
What are the key properties of 3-cyano-N-[2-(2-oxo-1,3-dihydroindol-5-yl)ethyl]propanamide?
3-cyano-N-[2-(2-oxo-1,3-dihydroindol-5-yl)ethyl]propanamide has a molecular weight of 257.29 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[2-(2-oxo-1,3-dihydroindol-5-yl)ethyl]propanamide is sourced from PubChem (CID 115173941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).