N-but-3-yn-2-yl-2,3-dihydro-1H-indole-3-carboxamide

C13H14N2O — CID 114417212

IUPACN-but-3-yn-2-yl-2,3-dihydro-1H-indole-3-carboxamide
SMILESC#CC(C)NC(=O)C1CNc2ccccc21
InChIInChI=1S/C13H14N2O/c1-3-9(2)15-13(16)11-8-14-12-7-5-4-6-10(11)12/h1,4-7,9,11,14H,8H2,2H3,(H,15,16)
InChIKeyRDCKGMVVVISYDJ-UHFFFAOYSA-N
MW214.27 g/mol
LogP1.33
Rot. Bonds2

About N-but-3-yn-2-yl-2,3-dihydro-1H-indole-3-carboxamide

N-but-3-yn-2-yl-2,3-dihydro-1H-indole-3-carboxamide (PubChem CID 114417212) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is N-but-3-yn-2-yl-2,3-dihydro-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-but-3-yn-2-yl-2,3-dihydro-1H-indole-3-carboxamide
PubChem CID114417212
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC NameN-but-3-yn-2-yl-2,3-dihydro-1H-indole-3-carboxamide
SMILESC#CC(C)NC(=O)C1CNc2ccccc21
InChIInChI=1S/C13H14N2O/c1-3-9(2)15-13(16)11-8-14-12-7-5-4-6-10(11)12/h1,4-7,9,11,14H,8H2,2H3,(H,15,16)
InChIKeyRDCKGMVVVISYDJ-UHFFFAOYSA-N
XLogP1.33
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(1-phenylethyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80566091
N-[1-(2-bromophenyl)ethyl]-2,3-dihydro-1H-indole-3-carboxamide
CID 80564594
N-[1-(4-fluorophenyl)ethyl]-2,3-dihydro-1H-indole-3-carboxamide
CID 80563608
methyl (2S)-2-(2,3-dihydro-1H-indole-3-carbonylamino)propanoate
CID 80565260
N-[1-(4-bromophenyl)ethyl]-2,3-dihydro-1H-indole-3-carboxamide
CID 80563668
N-[(1R)-1-(4-chlorophenyl)ethyl]-2,3-dihydro-1H-indole-3-carboxamide
CID 81355683
N-(1-cyanopropan-2-yl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80566463
N-(4-hydroxypentan-2-yl)-2,3-dihydro-1H-indole-3-carboxamide
CID 113376258
N-(1,3-dihydroxypropan-2-yl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80567229
N-(1-piperidin-1-ylpropan-2-yl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80564582
N-[1-(dimethylamino)-3-methylbutan-2-yl]-2,3-dihydro-1H-indole-3-carboxamide
CID 80566385
N-[1-(5-methylthiophen-2-yl)ethyl]-2,3-dihydro-1H-indole-3-carboxamide
CID 80566367

Frequently Asked Questions

What is the IUPAC name of N-but-3-yn-2-yl-2,3-dihydro-1H-indole-3-carboxamide?
The IUPAC name of N-but-3-yn-2-yl-2,3-dihydro-1H-indole-3-carboxamide (CID 114417212) is N-but-3-yn-2-yl-2,3-dihydro-1H-indole-3-carboxamide.
What is the SMILES notation for N-but-3-yn-2-yl-2,3-dihydro-1H-indole-3-carboxamide?
The canonical SMILES for N-but-3-yn-2-yl-2,3-dihydro-1H-indole-3-carboxamide is C#CC(C)NC(=O)C1CNc2ccccc21.
What is the InChIKey of N-but-3-yn-2-yl-2,3-dihydro-1H-indole-3-carboxamide?
The InChIKey is RDCKGMVVVISYDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-3-9(2)15-13(16)11-8-14-12-7-5-4-6-10(11)12/h1,4-7,9,11,14H,8H2,2H3,(H,15,16).
What are the key properties of N-but-3-yn-2-yl-2,3-dihydro-1H-indole-3-carboxamide?
N-but-3-yn-2-yl-2,3-dihydro-1H-indole-3-carboxamide has a molecular weight of 214.27 g/mol, XLogP of 1.33, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-yn-2-yl-2,3-dihydro-1H-indole-3-carboxamide is sourced from PubChem (CID 114417212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).