2-(dimethylamino)-2-(1-methylindol-2-yl)acetonitrile

C13H15N3 — CID 15175186

IUPAC2-(dimethylamino)-2-(1-methylindol-2-yl)acetonitrile
SMILESCN(C)C(C#N)c1cc2ccccc2n1C
InChIInChI=1S/C13H15N3/c1-15(2)13(9-14)12-8-10-6-4-5-7-11(10)16(12)3/h4-8,13H,1-3H3
InChIKeyYYHWRVVYKVBLIP-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.30
Rot. Bonds2

About 2-(dimethylamino)-2-(1-methylindol-2-yl)acetonitrile

2-(dimethylamino)-2-(1-methylindol-2-yl)acetonitrile (PubChem CID 15175186) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-(dimethylamino)-2-(1-methylindol-2-yl)acetonitrile.

Molecular Properties

Compound Name2-(dimethylamino)-2-(1-methylindol-2-yl)acetonitrile
PubChem CID15175186
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC Name2-(dimethylamino)-2-(1-methylindol-2-yl)acetonitrile
SMILESCN(C)C(C#N)c1cc2ccccc2n1C
InChIInChI=1S/C13H15N3/c1-15(2)13(9-14)12-8-10-6-4-5-7-11(10)16(12)3/h4-8,13H,1-3H3
InChIKeyYYHWRVVYKVBLIP-UHFFFAOYSA-N
XLogP2.30
TPSA31.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[bis(phenylsulfanyl)methyl]-1-methylindole
CID 15175184
2-methyl-1-(1-methylindol-2-yl)buta-2,3-dien-1-ol
CID 54756628
2-amino-2-(1-methylindol-2-yl)ethanol
CID 55270563
2-amino-2-(1-methylindol-2-yl)acetic acid
CID 82658880
2-(bromomethyl)-1-methylindole
CID 58970525
(3R)-3-hydroxy-3-(1-methylindol-2-yl)propanoic acid
CID 96609351
CID 175336040
CID 175336040
benzene;1-methyl-2-phenylindole
CID 158316839
2-[1-(4,5-dimethylfuran-2-yl)ethyl]-1-methylindole
CID 3746539
2-ethynyl-1-methylindole
CID 12839097
4-[2-(1-methylindol-2-yl)ethyl]benzonitrile
CID 23296415
1-methyl-2-propylindole
CID 13170349

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-2-(1-methylindol-2-yl)acetonitrile?
The IUPAC name of 2-(dimethylamino)-2-(1-methylindol-2-yl)acetonitrile (CID 15175186) is 2-(dimethylamino)-2-(1-methylindol-2-yl)acetonitrile.
What is the SMILES notation for 2-(dimethylamino)-2-(1-methylindol-2-yl)acetonitrile?
The canonical SMILES for 2-(dimethylamino)-2-(1-methylindol-2-yl)acetonitrile is CN(C)C(C#N)c1cc2ccccc2n1C.
What is the InChIKey of 2-(dimethylamino)-2-(1-methylindol-2-yl)acetonitrile?
The InChIKey is YYHWRVVYKVBLIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3/c1-15(2)13(9-14)12-8-10-6-4-5-7-11(10)16(12)3/h4-8,13H,1-3H3.
What are the key properties of 2-(dimethylamino)-2-(1-methylindol-2-yl)acetonitrile?
2-(dimethylamino)-2-(1-methylindol-2-yl)acetonitrile has a molecular weight of 213.28 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-2-(1-methylindol-2-yl)acetonitrile is sourced from PubChem (CID 15175186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).