2-[3-[(dimethylamino)methyl]-1H-indol-5-yl]acetonitrile

C13H15N3 — CID 170886401

IUPAC2-[3-[(dimethylamino)methyl]-1H-indol-5-yl]acetonitrile
SMILESCN(C)Cc1c[nH]c2ccc(CC#N)cc12
InChIInChI=1S/C13H15N3/c1-16(2)9-11-8-15-13-4-3-10(5-6-14)7-12(11)13/h3-4,7-8,15H,5,9H2,1-2H3
InChIKeyGFOPUCQCLUGNOA-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.30
Rot. Bonds3

About 2-[3-[(dimethylamino)methyl]-1H-indol-5-yl]acetonitrile

2-[3-[(dimethylamino)methyl]-1H-indol-5-yl]acetonitrile (PubChem CID 170886401) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-[3-[(dimethylamino)methyl]-1H-indol-5-yl]acetonitrile.

Molecular Properties

Compound Name2-[3-[(dimethylamino)methyl]-1H-indol-5-yl]acetonitrile
PubChem CID170886401
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC Name2-[3-[(dimethylamino)methyl]-1H-indol-5-yl]acetonitrile
SMILESCN(C)Cc1c[nH]c2ccc(CC#N)cc12
InChIInChI=1S/C13H15N3/c1-16(2)9-11-8-15-13-4-3-10(5-6-14)7-12(11)13/h3-4,7-8,15H,5,9H2,1-2H3
InChIKeyGFOPUCQCLUGNOA-UHFFFAOYSA-N
XLogP2.30
TPSA42.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(ethylamino)-1H-indol-5-yl]acetonitrile
CID 159146438
N,N-dimethyl-1-(5-nitro-1H-indol-3-yl)methanamine
CID 18882
1-[5-[[3-[(dimethylamino)methyl]-1H-indol-5-yl]sulfonyl]-1H-indol-3-yl]-N,N-dimethylmethanamine
CID 12575718
[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methanol
CID 10262849
3-[3-(cyanomethyl)-1H-indol-5-yl]-1,1-dimethylurea
CID 70396619
2-(5-acetyl-1H-indol-3-yl)acetonitrile
CID 119094542
ethyl N-[[3-(cyanomethyl)-1H-indol-5-yl]methyl]carbamate
CID 131715970
methyl-[(5-propyl-1H-indol-3-yl)methyl]carbamic acid
CID 143093379
N,N-dimethyl-1-(1H-pyrrolo[3,2-c]pyridin-5-ium-3-yl)methanamine
CID 123270378
N-[3-(cyanomethyl)-1H-indol-5-yl]acetamide
CID 12803112
1-(5-ethyl-1H-indol-3-yl)-N-methylmethanamine
CID 82490825
butyl N-[2-[5-[(dimethylamino)methyl]-1H-indol-3-yl]ethyl]carbamate
CID 139908727

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(dimethylamino)methyl]-1H-indol-5-yl]acetonitrile?
The IUPAC name of 2-[3-[(dimethylamino)methyl]-1H-indol-5-yl]acetonitrile (CID 170886401) is 2-[3-[(dimethylamino)methyl]-1H-indol-5-yl]acetonitrile.
What is the SMILES notation for 2-[3-[(dimethylamino)methyl]-1H-indol-5-yl]acetonitrile?
The canonical SMILES for 2-[3-[(dimethylamino)methyl]-1H-indol-5-yl]acetonitrile is CN(C)Cc1c[nH]c2ccc(CC#N)cc12.
What is the InChIKey of 2-[3-[(dimethylamino)methyl]-1H-indol-5-yl]acetonitrile?
The InChIKey is GFOPUCQCLUGNOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3/c1-16(2)9-11-8-15-13-4-3-10(5-6-14)7-12(11)13/h3-4,7-8,15H,5,9H2,1-2H3.
What are the key properties of 2-[3-[(dimethylamino)methyl]-1H-indol-5-yl]acetonitrile?
2-[3-[(dimethylamino)methyl]-1H-indol-5-yl]acetonitrile has a molecular weight of 213.28 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(dimethylamino)methyl]-1H-indol-5-yl]acetonitrile is sourced from PubChem (CID 170886401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).