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

C12H13N3 — CID 159146438

IUPAC2-[3-(ethylamino)-1H-indol-5-yl]acetonitrile
SMILESCCNc1c[nH]c2ccc(CC#N)cc12
InChIInChI=1S/C12H13N3/c1-2-14-12-8-15-11-4-3-9(5-6-13)7-10(11)12/h3-4,7-8,14-15H,2,5H2,1H3
InChIKeyKISWPWBQOIXWOL-UHFFFAOYSA-N
MW199.26 g/mol
LogP2.67
Rot. Bonds3

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

2-[3-(ethylamino)-1H-indol-5-yl]acetonitrile (PubChem CID 159146438) has the molecular formula C12H13N3 and a molecular weight of 199.26 g/mol. Its IUPAC name is 2-[3-(ethylamino)-1H-indol-5-yl]acetonitrile.

Molecular Properties

Compound Name2-[3-(ethylamino)-1H-indol-5-yl]acetonitrile
PubChem CID159146438
Molecular FormulaC12H13N3
Molecular Weight199.26 g/mol
Exact Mass199.11
IUPAC Name2-[3-(ethylamino)-1H-indol-5-yl]acetonitrile
SMILESCCNc1c[nH]c2ccc(CC#N)cc12
InChIInChI=1S/C12H13N3/c1-2-14-12-8-15-11-4-3-9(5-6-13)7-10(11)12/h3-4,7-8,14-15H,2,5H2,1H3
InChIKeyKISWPWBQOIXWOL-UHFFFAOYSA-N
XLogP2.67
TPSA51.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.26
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-[(dimethylamino)methyl]-1H-indol-5-yl]acetonitrile
CID 170886401
N-ethyl-1H-indol-3-amine
CID 22497863
2-[4-(ethylamino)phenyl]acetonitrile
CID 43229025
N-ethyl-5-(purin-7-ylmethyl)-1H-indol-3-amine
CID 22411322
ethyl N-[[3-(cyanomethyl)-1H-indol-5-yl]methyl]carbamate
CID 131715970
2-[4-(1H-indol-3-ylmethylamino)phenyl]acetonitrile
CID 60681635
1-(5-ethyl-1H-indol-3-yl)-N-methylmethanamine
CID 82490825
N-prop-2-ynyl-1H-indol-3-amine
CID 57486159
tert-butyl formate;2-(1H-indol-5-yl)acetonitrile
CID 174767492
N-ethyl-5-purin-7-yl-1H-indol-3-amine
CID 22411334
5-[2-(4-chlorophenoxy)ethyl]-N-methyl-1H-indol-3-amine
CID 167467779
5,6-difluoro-N-prop-1-ynyl-1H-indol-3-amine
CID 175446361

Frequently Asked Questions

What is the IUPAC name of 2-[3-(ethylamino)-1H-indol-5-yl]acetonitrile?
The IUPAC name of 2-[3-(ethylamino)-1H-indol-5-yl]acetonitrile (CID 159146438) is 2-[3-(ethylamino)-1H-indol-5-yl]acetonitrile.
What is the SMILES notation for 2-[3-(ethylamino)-1H-indol-5-yl]acetonitrile?
The canonical SMILES for 2-[3-(ethylamino)-1H-indol-5-yl]acetonitrile is CCNc1c[nH]c2ccc(CC#N)cc12.
What is the InChIKey of 2-[3-(ethylamino)-1H-indol-5-yl]acetonitrile?
The InChIKey is KISWPWBQOIXWOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3/c1-2-14-12-8-15-11-4-3-9(5-6-13)7-10(11)12/h3-4,7-8,14-15H,2,5H2,1H3.
What are the key properties of 2-[3-(ethylamino)-1H-indol-5-yl]acetonitrile?
2-[3-(ethylamino)-1H-indol-5-yl]acetonitrile has a molecular weight of 199.26 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(ethylamino)-1H-indol-5-yl]acetonitrile is sourced from PubChem (CID 159146438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).