N-[3-(cyanomethyl)-1H-indol-5-yl]acetamide

C12H11N3O — CID 12803112

IUPACN-[3-(cyanomethyl)-1H-indol-5-yl]acetamide
SMILESCC(=O)Nc1ccc2[nH]cc(CC#N)c2c1
InChIInChI=1S/C12H11N3O/c1-8(16)15-10-2-3-12-11(6-10)9(4-5-13)7-14-12/h2-3,6-7,14H,4H2,1H3,(H,15,16)
InChIKeyAQVUPMKJDOYKBG-UHFFFAOYSA-N
MW213.24 g/mol
LogP2.19
Rot. Bonds2

About N-[3-(cyanomethyl)-1H-indol-5-yl]acetamide

N-[3-(cyanomethyl)-1H-indol-5-yl]acetamide (PubChem CID 12803112) has the molecular formula C12H11N3O and a molecular weight of 213.24 g/mol. Its IUPAC name is N-[3-(cyanomethyl)-1H-indol-5-yl]acetamide.

Molecular Properties

Compound NameN-[3-(cyanomethyl)-1H-indol-5-yl]acetamide
PubChem CID12803112
Molecular FormulaC12H11N3O
Molecular Weight213.24 g/mol
Exact Mass213.09
IUPAC NameN-[3-(cyanomethyl)-1H-indol-5-yl]acetamide
SMILESCC(=O)Nc1ccc2[nH]cc(CC#N)c2c1
InChIInChI=1S/C12H11N3O/c1-8(16)15-10-2-3-12-11(6-10)9(4-5-13)7-14-12/h2-3,6-7,14H,4H2,1H3,(H,15,16)
InChIKeyAQVUPMKJDOYKBG-UHFFFAOYSA-N
XLogP2.19
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 ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-(cyanomethyl)-1H-indol-5-yl]-1,1-dimethylurea
CID 70396619
2-(5-acetyl-1H-indol-3-yl)acetonitrile
CID 119094542
[3-(cyanomethyl)-1H-indol-5-yl]thiourea
CID 12803108
ethyl 2-[[3-(cyanomethyl)-1H-indol-5-yl]amino]pyrimidine-5-carboxylate
CID 166366025
tert-butyl N-[1-[[3-(cyanomethyl)-1H-indol-5-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 14391167
N-[3-(2,5-dioxopyrrol-1-yl)-1H-indol-5-yl]acetamide
CID 70365692
ethyl N-[[3-(cyanomethyl)-1H-indol-5-yl]methyl]carbamate
CID 131715970
ethyl 2-(5-acetamido-1H-indol-3-yl)butanoate
CID 102584291
diethyl 2-[(5-acetamido-1H-indol-3-yl)methyl]-2-formamidopropanedioate
CID 14268621
2-(4-acetamidophenyl)-N-[4-(cyanomethyl)phenyl]acetamide
CID 26375554
4-acetamido-N-[2-(5-chloro-1H-indol-3-yl)ethyl]benzamide
CID 17271798
1-[3-(cyanomethyl)-1H-indol-5-yl]-N-methylpropane-1-sulfonamide
CID 67906300

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyanomethyl)-1H-indol-5-yl]acetamide?
The IUPAC name of N-[3-(cyanomethyl)-1H-indol-5-yl]acetamide (CID 12803112) is N-[3-(cyanomethyl)-1H-indol-5-yl]acetamide.
What is the SMILES notation for N-[3-(cyanomethyl)-1H-indol-5-yl]acetamide?
The canonical SMILES for N-[3-(cyanomethyl)-1H-indol-5-yl]acetamide is CC(=O)Nc1ccc2[nH]cc(CC#N)c2c1.
What is the InChIKey of N-[3-(cyanomethyl)-1H-indol-5-yl]acetamide?
The InChIKey is AQVUPMKJDOYKBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O/c1-8(16)15-10-2-3-12-11(6-10)9(4-5-13)7-14-12/h2-3,6-7,14H,4H2,1H3,(H,15,16).
What are the key properties of N-[3-(cyanomethyl)-1H-indol-5-yl]acetamide?
N-[3-(cyanomethyl)-1H-indol-5-yl]acetamide has a molecular weight of 213.24 g/mol, XLogP of 2.19, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyanomethyl)-1H-indol-5-yl]acetamide is sourced from PubChem (CID 12803112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).