N-hex-5-ynyl-2-oxo-1,3-dihydroindole-5-carboxamide

C15H16N2O2 — CID 103757881

IUPACN-hex-5-ynyl-2-oxo-1,3-dihydroindole-5-carboxamide
SMILESC#CCCCCNC(=O)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C15H16N2O2/c1-2-3-4-5-8-16-15(19)11-6-7-13-12(9-11)10-14(18)17-13/h1,6-7,9H,3-5,8,10H2,(H,16,19)(H,17,18)
InChIKeyIQEDTDMEBVIWDR-UHFFFAOYSA-N
MW256.30 g/mol
LogP1.71
Rot. Bonds5

About N-hex-5-ynyl-2-oxo-1,3-dihydroindole-5-carboxamide

N-hex-5-ynyl-2-oxo-1,3-dihydroindole-5-carboxamide (PubChem CID 103757881) has the molecular formula C15H16N2O2 and a molecular weight of 256.30 g/mol. Its IUPAC name is N-hex-5-ynyl-2-oxo-1,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound NameN-hex-5-ynyl-2-oxo-1,3-dihydroindole-5-carboxamide
PubChem CID103757881
Molecular FormulaC15H16N2O2
Molecular Weight256.30 g/mol
Exact Mass256.12
IUPAC NameN-hex-5-ynyl-2-oxo-1,3-dihydroindole-5-carboxamide
SMILESC#CCCCCNC(=O)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C15H16N2O2/c1-2-3-4-5-8-16-15(19)11-6-7-13-12(9-11)10-14(18)17-13/h1,6-7,9H,3-5,8,10H2,(H,16,19)(H,17,18)
InChIKeyIQEDTDMEBVIWDR-UHFFFAOYSA-N
XLogP1.71
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-hexyl-2-oxo-1,3-dihydroindole-5-carboxamide
CID 108784631
N-[3-(methylamino)propyl]-2-oxo-1,3-dihydroindole-5-carboxamide
CID 69247393
N-(2-hydroxyethyl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 18765684
N-(5-methylsulfanylpentyl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 104920104
N-pent-4-ynyl-2,3-dihydro-1H-indole-5-carboxamide
CID 106222041
2-oxo-N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1,3-dihydroindole-5-carboxamide
CID 103711180
N-(3-aminobutyl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 102711492
N-[(4-hydroxyoxan-4-yl)methyl]-2-oxo-1,3-dihydroindole-5-carboxamide
CID 103712064
N-(3-imidazol-1-ylpropyl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 108797974
2-[(2-oxo-1,3-dihydroindole-5-carbonyl)amino]pent-4-ynoic acid
CID 102710831
methyl 2-[(2-oxo-1,3-dihydroindole-5-carbonyl)amino]acetate
CID 83724913
N-butyl-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102711852

Frequently Asked Questions

What is the IUPAC name of N-hex-5-ynyl-2-oxo-1,3-dihydroindole-5-carboxamide?
The IUPAC name of N-hex-5-ynyl-2-oxo-1,3-dihydroindole-5-carboxamide (CID 103757881) is N-hex-5-ynyl-2-oxo-1,3-dihydroindole-5-carboxamide.
What is the SMILES notation for N-hex-5-ynyl-2-oxo-1,3-dihydroindole-5-carboxamide?
The canonical SMILES for N-hex-5-ynyl-2-oxo-1,3-dihydroindole-5-carboxamide is C#CCCCCNC(=O)c1ccc2c(c1)CC(=O)N2.
What is the InChIKey of N-hex-5-ynyl-2-oxo-1,3-dihydroindole-5-carboxamide?
The InChIKey is IQEDTDMEBVIWDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-2-3-4-5-8-16-15(19)11-6-7-13-12(9-11)10-14(18)17-13/h1,6-7,9H,3-5,8,10H2,(H,16,19)(H,17,18).
What are the key properties of N-hex-5-ynyl-2-oxo-1,3-dihydroindole-5-carboxamide?
N-hex-5-ynyl-2-oxo-1,3-dihydroindole-5-carboxamide has a molecular weight of 256.30 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hex-5-ynyl-2-oxo-1,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 103757881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).