N-(1-cyanopropan-2-yl)-2,3-dihydro-1H-indole-3-carboxamide

C13H15N3O — CID 80566463

IUPACN-(1-cyanopropan-2-yl)-2,3-dihydro-1H-indole-3-carboxamide
SMILESCC(CC#N)NC(=O)C1CNc2ccccc21
InChIInChI=1S/C13H15N3O/c1-9(6-7-14)16-13(17)11-8-15-12-5-3-2-4-10(11)12/h2-5,9,11,15H,6,8H2,1H3,(H,16,17)
InChIKeyHUUTZRBAEWIKMP-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.61
Rot. Bonds3

About N-(1-cyanopropan-2-yl)-2,3-dihydro-1H-indole-3-carboxamide

N-(1-cyanopropan-2-yl)-2,3-dihydro-1H-indole-3-carboxamide (PubChem CID 80566463) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is N-(1-cyanopropan-2-yl)-2,3-dihydro-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-(1-cyanopropan-2-yl)-2,3-dihydro-1H-indole-3-carboxamide
PubChem CID80566463
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC NameN-(1-cyanopropan-2-yl)-2,3-dihydro-1H-indole-3-carboxamide
SMILESCC(CC#N)NC(=O)C1CNc2ccccc21
InChIInChI=1S/C13H15N3O/c1-9(6-7-14)16-13(17)11-8-15-12-5-3-2-4-10(11)12/h2-5,9,11,15H,6,8H2,1H3,(H,16,17)
InChIKeyHUUTZRBAEWIKMP-UHFFFAOYSA-N
XLogP1.61
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-hydroxypentan-2-yl)-2,3-dihydro-1H-indole-3-carboxamide
CID 113376258
N-but-3-yn-2-yl-2,3-dihydro-1H-indole-3-carboxamide
CID 114417212
N-(1-piperidin-1-ylpropan-2-yl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80564582
N-(1-phenylethyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80566091
N-(1,3-dihydroxypropan-2-yl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80567229
(3S)-N-[(2R)-1-cyanopropan-2-yl]-2,3-dihydro-1-benzofuran-3-carboxamide
CID 95359121
methyl (2S)-2-(2,3-dihydro-1H-indole-3-carbonylamino)propanoate
CID 80565260
N-(1-imidazol-1-ylpropan-2-yl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80565274
N-(1-methoxybutan-2-yl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80567149
N-[1-(dimethylamino)-3-methylbutan-2-yl]-2,3-dihydro-1H-indole-3-carboxamide
CID 80566385
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

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanopropan-2-yl)-2,3-dihydro-1H-indole-3-carboxamide?
The IUPAC name of N-(1-cyanopropan-2-yl)-2,3-dihydro-1H-indole-3-carboxamide (CID 80566463) is N-(1-cyanopropan-2-yl)-2,3-dihydro-1H-indole-3-carboxamide.
What is the SMILES notation for N-(1-cyanopropan-2-yl)-2,3-dihydro-1H-indole-3-carboxamide?
The canonical SMILES for N-(1-cyanopropan-2-yl)-2,3-dihydro-1H-indole-3-carboxamide is CC(CC#N)NC(=O)C1CNc2ccccc21.
What is the InChIKey of N-(1-cyanopropan-2-yl)-2,3-dihydro-1H-indole-3-carboxamide?
The InChIKey is HUUTZRBAEWIKMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-9(6-7-14)16-13(17)11-8-15-12-5-3-2-4-10(11)12/h2-5,9,11,15H,6,8H2,1H3,(H,16,17).
What are the key properties of N-(1-cyanopropan-2-yl)-2,3-dihydro-1H-indole-3-carboxamide?
N-(1-cyanopropan-2-yl)-2,3-dihydro-1H-indole-3-carboxamide has a molecular weight of 229.28 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanopropan-2-yl)-2,3-dihydro-1H-indole-3-carboxamide is sourced from PubChem (CID 80566463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).