N-prop-2-ynyl-1H-indole-5-carboxamide

C12H10N2O — CID 63717307

IUPACN-prop-2-ynyl-1H-indole-5-carboxamide
SMILESC#CCNC(=O)c1ccc2[nH]ccc2c1
InChIInChI=1S/C12H10N2O/c1-2-6-14-12(15)10-3-4-11-9(8-10)5-7-13-11/h1,3-5,7-8,13H,6H2,(H,14,15)
InChIKeyDDKBVUXAJIQNAZ-UHFFFAOYSA-N
MW198.22 g/mol
LogP1.53
Rot. Bonds2

About N-prop-2-ynyl-1H-indole-5-carboxamide

N-prop-2-ynyl-1H-indole-5-carboxamide (PubChem CID 63717307) has the molecular formula C12H10N2O and a molecular weight of 198.22 g/mol. Its IUPAC name is N-prop-2-ynyl-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN-prop-2-ynyl-1H-indole-5-carboxamide
PubChem CID63717307
Molecular FormulaC12H10N2O
Molecular Weight198.22 g/mol
Exact Mass198.08
IUPAC NameN-prop-2-ynyl-1H-indole-5-carboxamide
SMILESC#CCNC(=O)c1ccc2[nH]ccc2c1
InChIInChI=1S/C12H10N2O/c1-2-6-14-12(15)10-3-4-11-9(8-10)5-7-13-11/h1,3-5,7-8,13H,6H2,(H,14,15)
InChIKeyDDKBVUXAJIQNAZ-UHFFFAOYSA-N
XLogP1.53
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2-chlorophenyl)prop-2-ynyl]-1H-indole-5-carboxamide
CID 90548825
N-(2-amino-2-methylpropyl)-1H-indole-5-carboxamide
CID 113282701
N-[3-(methylamino)propyl]-1H-indole-5-carboxamide
CID 63749863
N-[3-(4-carbamoylphenyl)prop-2-ynyl]-1H-indole-5-carboxamide
CID 90549925
methyl 3-(1H-indole-5-carbonylamino)propanoate
CID 63718794
N-[2-(dimethylcarbamoylamino)ethyl]-1H-indole-5-carboxamide
CID 83114551
N-[3-(methylamino)-3-oxopropyl]-1H-indole-5-carboxamide
CID 63718286
N-(6-hydroxyhexyl)-1H-indole-5-carboxamide
CID 103918779
N-(2-ethyl-2-methylsulfanylbutyl)-1H-indole-5-carboxamide
CID 103709321
N-(3-methylbutan-2-yl)-1H-indole-5-carboxamide
CID 63718611
4-[(1H-indole-5-carbonylamino)methyl]benzoic acid
CID 141342691
2-[(1H-indole-5-carbonylamino)methyl]-3-methylbutanoic acid
CID 65220172

Frequently Asked Questions

What is the IUPAC name of N-prop-2-ynyl-1H-indole-5-carboxamide?
The IUPAC name of N-prop-2-ynyl-1H-indole-5-carboxamide (CID 63717307) is N-prop-2-ynyl-1H-indole-5-carboxamide.
What is the SMILES notation for N-prop-2-ynyl-1H-indole-5-carboxamide?
The canonical SMILES for N-prop-2-ynyl-1H-indole-5-carboxamide is C#CCNC(=O)c1ccc2[nH]ccc2c1.
What is the InChIKey of N-prop-2-ynyl-1H-indole-5-carboxamide?
The InChIKey is DDKBVUXAJIQNAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O/c1-2-6-14-12(15)10-3-4-11-9(8-10)5-7-13-11/h1,3-5,7-8,13H,6H2,(H,14,15).
What are the key properties of N-prop-2-ynyl-1H-indole-5-carboxamide?
N-prop-2-ynyl-1H-indole-5-carboxamide has a molecular weight of 198.22 g/mol, XLogP of 1.53, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-ynyl-1H-indole-5-carboxamide is sourced from PubChem (CID 63717307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).