2-oxo-N-pent-4-en-2-yl-1,3-dihydroindole-5-carboxamide

C14H16N2O2 — CID 113237405

IUPAC2-oxo-N-pent-4-en-2-yl-1,3-dihydroindole-5-carboxamide
SMILESC=CCC(C)NC(=O)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C14H16N2O2/c1-3-4-9(2)15-14(18)10-5-6-12-11(7-10)8-13(17)16-12/h3,5-7,9H,1,4,8H2,2H3,(H,15,18)(H,16,17)
InChIKeyOMGWARBOHBAOGV-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.88
Rot. Bonds4

About 2-oxo-N-pent-4-en-2-yl-1,3-dihydroindole-5-carboxamide

2-oxo-N-pent-4-en-2-yl-1,3-dihydroindole-5-carboxamide (PubChem CID 113237405) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-oxo-N-pent-4-en-2-yl-1,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound Name2-oxo-N-pent-4-en-2-yl-1,3-dihydroindole-5-carboxamide
PubChem CID113237405
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name2-oxo-N-pent-4-en-2-yl-1,3-dihydroindole-5-carboxamide
SMILESC=CCC(C)NC(=O)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C14H16N2O2/c1-3-4-9(2)15-14(18)10-5-6-12-11(7-10)8-13(17)16-12/h3,5-7,9H,1,4,8H2,2H3,(H,15,18)(H,16,17)
InChIKeyOMGWARBOHBAOGV-UHFFFAOYSA-N
XLogP1.88
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methylhexan-2-yl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 103708354
N-(1,3-dihydroxypropan-2-yl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 113429194
N-(1,1-dimethoxypropan-2-yl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 102712430
N-(2-hydroxypropyl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 108784707
2-oxo-N-[(1-propan-2-ylcyclopropyl)methyl]-1,3-dihydroindole-5-carboxamide
CID 103742618
N-benzhydryl-2-oxo-1,3-dihydroindole-5-carboxamide
CID 108784603
N-(3-aminobutyl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 102711492
N-(2-amino-3-methylbutyl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 102711566
4-fluoro-N-pent-4-en-2-ylbenzamide
CID 115631330
2-oxo-N-[(2S)-4-(pyrazine-2-carbonylamino)butan-2-yl]-1,3-dihydroindole-5-carboxamide
CID 166373051
N-pent-4-en-2-yl-1H-indole-5-carboxamide
CID 113237404
3-cyclopropyl-3-[(2-oxo-1,3-dihydroindole-5-carbonyl)amino]propanoic acid
CID 102710846

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-pent-4-en-2-yl-1,3-dihydroindole-5-carboxamide?
The IUPAC name of 2-oxo-N-pent-4-en-2-yl-1,3-dihydroindole-5-carboxamide (CID 113237405) is 2-oxo-N-pent-4-en-2-yl-1,3-dihydroindole-5-carboxamide.
What is the SMILES notation for 2-oxo-N-pent-4-en-2-yl-1,3-dihydroindole-5-carboxamide?
The canonical SMILES for 2-oxo-N-pent-4-en-2-yl-1,3-dihydroindole-5-carboxamide is C=CCC(C)NC(=O)c1ccc2c(c1)CC(=O)N2.
What is the InChIKey of 2-oxo-N-pent-4-en-2-yl-1,3-dihydroindole-5-carboxamide?
The InChIKey is OMGWARBOHBAOGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-3-4-9(2)15-14(18)10-5-6-12-11(7-10)8-13(17)16-12/h3,5-7,9H,1,4,8H2,2H3,(H,15,18)(H,16,17).
What are the key properties of 2-oxo-N-pent-4-en-2-yl-1,3-dihydroindole-5-carboxamide?
2-oxo-N-pent-4-en-2-yl-1,3-dihydroindole-5-carboxamide has a molecular weight of 244.29 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-pent-4-en-2-yl-1,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 113237405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).