2-(1,2-dimethylpyrrolidin-2-yl)acetonitrile

C8H14N2 — CID 130291955

IUPAC2-(1,2-dimethylpyrrolidin-2-yl)acetonitrile
SMILESCN1CCCC1(C)CC#N
InChIInChI=1S/C8H14N2/c1-8(5-6-9)4-3-7-10(8)2/h3-5,7H2,1-2H3
InChIKeyJNQUFGRSQFLAMW-UHFFFAOYSA-N
MW138.21 g/mol
LogP1.38
Rot. Bonds1

About 2-(1,2-dimethylpyrrolidin-2-yl)acetonitrile

2-(1,2-dimethylpyrrolidin-2-yl)acetonitrile (PubChem CID 130291955) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 2-(1,2-dimethylpyrrolidin-2-yl)acetonitrile.

Molecular Properties

Compound Name2-(1,2-dimethylpyrrolidin-2-yl)acetonitrile
PubChem CID130291955
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name2-(1,2-dimethylpyrrolidin-2-yl)acetonitrile
SMILESCN1CCCC1(C)CC#N
InChIInChI=1S/C8H14N2/c1-8(5-6-9)4-3-7-10(8)2/h3-5,7H2,1-2H3
InChIKeyJNQUFGRSQFLAMW-UHFFFAOYSA-N
XLogP1.38
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(2R)-1,2-dimethylpyrrolidin-2-yl]methanol
CID 141207857
acetylene;[(2R)-1,2-dimethylpyrrolidin-2-yl]methanol
CID 168910228
2-(4-chlorobutyl)-1,2-dimethylpyrrolidine
CID 175557059
2-(3-methoxy-3-methylpiperidin-1-yl)acetonitrile
CID 107392603
2-[1-[(3,3-dimethylpiperidin-1-yl)methyl]cyclopropyl]acetonitrile
CID 65492809
(2R)-2-(cyanomethyl)-N,1-bis(deuteriomethyl)pyrrolidine-2-carboxamide
CID 141114786
(2R)-2-ethynyl-1,2-dimethylpyrrolidine
CID 146049232
acetic acid;carbonocyanidic acid;tris(1,2,2,3,3-pentamethylpiperidine)
CID 175423936
2,5-dimethyl-2,5-diazaspiro[3.4]octan-3-one;2-(methylamino)acetonitrile
CID 123453716
(2S)-1,2-dimethyl-2-prop-1-ynylpyrrolidine
CID 162382841
3-ethyl-1,2,3-trimethyldiazinane
CID 178101796
1,8-dimethyl-1,8-diazaspiro[3.4]octane
CID 59187033

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-dimethylpyrrolidin-2-yl)acetonitrile?
The IUPAC name of 2-(1,2-dimethylpyrrolidin-2-yl)acetonitrile (CID 130291955) is 2-(1,2-dimethylpyrrolidin-2-yl)acetonitrile.
What is the SMILES notation for 2-(1,2-dimethylpyrrolidin-2-yl)acetonitrile?
The canonical SMILES for 2-(1,2-dimethylpyrrolidin-2-yl)acetonitrile is CN1CCCC1(C)CC#N.
What is the InChIKey of 2-(1,2-dimethylpyrrolidin-2-yl)acetonitrile?
The InChIKey is JNQUFGRSQFLAMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c1-8(5-6-9)4-3-7-10(8)2/h3-5,7H2,1-2H3.
What are the key properties of 2-(1,2-dimethylpyrrolidin-2-yl)acetonitrile?
2-(1,2-dimethylpyrrolidin-2-yl)acetonitrile has a molecular weight of 138.21 g/mol, XLogP of 1.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-dimethylpyrrolidin-2-yl)acetonitrile is sourced from PubChem (CID 130291955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).