N-(cyanomethyl)-1H-indole-2-carboxamide

C11H9N3O — CID 61260784

IUPACN-(cyanomethyl)-1H-indole-2-carboxamide
SMILESN#CCNC(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C11H9N3O/c12-5-6-13-11(15)10-7-8-3-1-2-4-9(8)14-10/h1-4,7,14H,6H2,(H,13,15)
InChIKeyLCGCRGZCSOKRSI-UHFFFAOYSA-N
MW199.21 g/mol
LogP1.42
Rot. Bonds2

About N-(cyanomethyl)-1H-indole-2-carboxamide

N-(cyanomethyl)-1H-indole-2-carboxamide (PubChem CID 61260784) has the molecular formula C11H9N3O and a molecular weight of 199.21 g/mol. Its IUPAC name is N-(cyanomethyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(cyanomethyl)-1H-indole-2-carboxamide
PubChem CID61260784
Molecular FormulaC11H9N3O
Molecular Weight199.21 g/mol
Exact Mass199.07
IUPAC NameN-(cyanomethyl)-1H-indole-2-carboxamide
SMILESN#CCNC(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C11H9N3O/c12-5-6-13-11(15)10-7-8-3-1-2-4-9(8)14-10/h1-4,7,14H,6H2,(H,13,15)
InChIKeyLCGCRGZCSOKRSI-UHFFFAOYSA-N
XLogP1.42
TPSA68.68 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(1R)-1-cyanoethyl]-1H-indole-2-carboxamide
CID 95253875
3-(1H-indole-2-carbonylamino)-2,2-dimethylpropanoic acid
CID 81370075
methyl 6-(1H-indole-2-carbonylamino)hexanoate
CID 43407298
3-(1H-indole-2-carbonylamino)-2-methoxypropanoic acid
CID 114144333
N-[3-(2-methoxyethoxy)propyl]-1H-indole-2-carboxamide
CID 51979700
N-[(2-methoxyphenyl)methyl]-1H-indole-2-carboxamide
CID 9270219
N-(6-hydroxyhexyl)-1H-indole-2-carboxamide
CID 11492630
N-[(E)-pent-3-enyl]-1H-indole-2-carboxamide
CID 115627991
N-[4-(2-methoxyethoxy)butyl]-1H-indole-2-carboxamide
CID 115599717
N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-1H-indole-2-carboxamide
CID 90551749
N-hex-5-ynyl-1H-indole-2-carboxamide
CID 103758030
N-[4-(2-fluorophenoxy)but-2-ynyl]-1H-indole-2-carboxamide
CID 90574335

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-1H-indole-2-carboxamide?
The IUPAC name of N-(cyanomethyl)-1H-indole-2-carboxamide (CID 61260784) is N-(cyanomethyl)-1H-indole-2-carboxamide.
What is the SMILES notation for N-(cyanomethyl)-1H-indole-2-carboxamide?
The canonical SMILES for N-(cyanomethyl)-1H-indole-2-carboxamide is N#CCNC(=O)c1cc2ccccc2[nH]1.
What is the InChIKey of N-(cyanomethyl)-1H-indole-2-carboxamide?
The InChIKey is LCGCRGZCSOKRSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O/c12-5-6-13-11(15)10-7-8-3-1-2-4-9(8)14-10/h1-4,7,14H,6H2,(H,13,15).
What are the key properties of N-(cyanomethyl)-1H-indole-2-carboxamide?
N-(cyanomethyl)-1H-indole-2-carboxamide has a molecular weight of 199.21 g/mol, XLogP of 1.42, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 61260784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).