2-(2-ethyl-1-methylpyrrolidin-3-yl)acetonitrile

C9H16N2 — CID 83845546

IUPAC2-(2-ethyl-1-methylpyrrolidin-3-yl)acetonitrile
SMILESCCC1C(CC#N)CCN1C
InChIInChI=1S/C9H16N2/c1-3-9-8(4-6-10)5-7-11(9)2/h8-9H,3-5,7H2,1-2H3
InChIKeyVAVSKUXFNDVLDU-UHFFFAOYSA-N
MW152.24 g/mol
LogP1.63
Rot. Bonds2

About 2-(2-ethyl-1-methylpyrrolidin-3-yl)acetonitrile

2-(2-ethyl-1-methylpyrrolidin-3-yl)acetonitrile (PubChem CID 83845546) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 2-(2-ethyl-1-methylpyrrolidin-3-yl)acetonitrile.

Molecular Properties

Compound Name2-(2-ethyl-1-methylpyrrolidin-3-yl)acetonitrile
PubChem CID83845546
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name2-(2-ethyl-1-methylpyrrolidin-3-yl)acetonitrile
SMILESCCC1C(CC#N)CCN1C
InChIInChI=1S/C9H16N2/c1-3-9-8(4-6-10)5-7-11(9)2/h8-9H,3-5,7H2,1-2H3
InChIKeyVAVSKUXFNDVLDU-UHFFFAOYSA-N
XLogP1.63
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2R,3S)-2-ethyl-1-methylpyrrolidin-3-yl]-N-methylmethanamine
CID 126603224
1-[(2-ethyl-1-methylpyrrolidin-3-yl)methyl]-1-methylhydrazine
CID 167500623
methyl 3-(cyanomethyl)-2-ethylpiperidine-1-carboxylate
CID 83848798
(2R)-2-ethyl-1-methylpyrrolidin-3-ol
CID 143895673
2-(3-hydroxy-1-methylpiperidin-4-yl)acetonitrile
CID 105430088
[(2R,3R)-2-ethyl-1-methylpiperidin-3-yl]methanamine
CID 82416011
2-(1,2-dimethylpiperidin-4-yl)acetonitrile
CID 83845549
2-(4-amino-1-methylpiperidin-3-yl)acetonitrile
CID 105429954
2-ethyl-3-(hydroxymethyl)pyrrolidine-1-carbonitrile
CID 130877876
2-(2,4-diethylcyclopentyl)acetonitrile
CID 167210010
4-ethyl-1,2,3-trimethylpiperidine
CID 89228905
2-ethyl-4-fluoro-1-methyl-3-propan-2-ylpiperidine
CID 178125240

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-1-methylpyrrolidin-3-yl)acetonitrile?
The IUPAC name of 2-(2-ethyl-1-methylpyrrolidin-3-yl)acetonitrile (CID 83845546) is 2-(2-ethyl-1-methylpyrrolidin-3-yl)acetonitrile.
What is the SMILES notation for 2-(2-ethyl-1-methylpyrrolidin-3-yl)acetonitrile?
The canonical SMILES for 2-(2-ethyl-1-methylpyrrolidin-3-yl)acetonitrile is CCC1C(CC#N)CCN1C.
What is the InChIKey of 2-(2-ethyl-1-methylpyrrolidin-3-yl)acetonitrile?
The InChIKey is VAVSKUXFNDVLDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-3-9-8(4-6-10)5-7-11(9)2/h8-9H,3-5,7H2,1-2H3.
What are the key properties of 2-(2-ethyl-1-methylpyrrolidin-3-yl)acetonitrile?
2-(2-ethyl-1-methylpyrrolidin-3-yl)acetonitrile has a molecular weight of 152.24 g/mol, XLogP of 1.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-1-methylpyrrolidin-3-yl)acetonitrile is sourced from PubChem (CID 83845546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).