N-[(1R)-1-cyanoethyl]-1H-indole-2-carboxamide

C12H11N3O — CID 95253875

IUPACN-[(1R)-1-cyanoethyl]-1H-indole-2-carboxamide
SMILESC[C@H](C#N)NC(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C12H11N3O/c1-8(7-13)14-12(16)11-6-9-4-2-3-5-10(9)15-11/h2-6,8,15H,1H3,(H,14,16)/t8-/m1/s1
InChIKeyLHEBFXQZLQSWBJ-MRVPVSSYSA-N
MW213.24 g/mol
LogP1.81
Rot. Bonds2

About N-[(1R)-1-cyanoethyl]-1H-indole-2-carboxamide

N-[(1R)-1-cyanoethyl]-1H-indole-2-carboxamide (PubChem CID 95253875) has the molecular formula C12H11N3O and a molecular weight of 213.24 g/mol. Its IUPAC name is N-[(1R)-1-cyanoethyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-cyanoethyl]-1H-indole-2-carboxamide
PubChem CID95253875
Molecular FormulaC12H11N3O
Molecular Weight213.24 g/mol
Exact Mass213.09
IUPAC NameN-[(1R)-1-cyanoethyl]-1H-indole-2-carboxamide
SMILESC[C@H](C#N)NC(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C12H11N3O/c1-8(7-13)14-12(16)11-6-9-4-2-3-5-10(9)15-11/h2-6,8,15H,1H3,(H,14,16)/t8-/m1/s1
InChIKeyLHEBFXQZLQSWBJ-MRVPVSSYSA-N
XLogP1.81
TPSA68.68 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-hydroxybutan-2-yl)-1H-indole-2-carboxamide
CID 81042932
N-(cyanomethyl)-1H-indole-2-carboxamide
CID 61260784
N-[1-(4-aminophenyl)ethyl]-1H-indole-2-carboxamide
CID 116650098
N-(dicyclopropylmethyl)-1H-indole-2-carboxamide
CID 47143820
N-hex-5-yn-3-yl-1H-indole-2-carboxamide
CID 115647369
N-[1-(1H-pyrazol-4-yl)ethyl]-1H-indole-2-carboxamide
CID 103856161
N-(4-cyanophenyl)-1H-indole-2-carboxamide
CID 26699443
potassium N-oxido-1H-indole-2-carboxamide
CID 23661896
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1H-indole-2-carboxamide
CID 78961100
(2R)-4-hydroxy-2-(1H-indole-2-carbonylamino)butanoic acid
CID 107823080
methyl 3-(1H-indole-2-carbonylamino)pentanoate
CID 112533189
N-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-1H-indole-2-carboxamide
CID 74586245

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-cyanoethyl]-1H-indole-2-carboxamide?
The IUPAC name of N-[(1R)-1-cyanoethyl]-1H-indole-2-carboxamide (CID 95253875) is N-[(1R)-1-cyanoethyl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(1R)-1-cyanoethyl]-1H-indole-2-carboxamide?
The canonical SMILES for N-[(1R)-1-cyanoethyl]-1H-indole-2-carboxamide is C[C@H](C#N)NC(=O)c1cc2ccccc2[nH]1.
What is the InChIKey of N-[(1R)-1-cyanoethyl]-1H-indole-2-carboxamide?
The InChIKey is LHEBFXQZLQSWBJ-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H11N3O/c1-8(7-13)14-12(16)11-6-9-4-2-3-5-10(9)15-11/h2-6,8,15H,1H3,(H,14,16)/t8-/m1/s1.
What are the key properties of N-[(1R)-1-cyanoethyl]-1H-indole-2-carboxamide?
N-[(1R)-1-cyanoethyl]-1H-indole-2-carboxamide has a molecular weight of 213.24 g/mol, XLogP of 1.81, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-cyanoethyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 95253875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).