2-pyrrolidin-2-ylacetonitrile

C6H10N2 — CID 12896132

IUPAC2-pyrrolidin-2-ylacetonitrile
SMILESN#CCC1CCCN1
InChIInChI=1S/C6H10N2/c7-4-3-6-2-1-5-8-6/h6,8H,1-3,5H2
InChIKeyLDOZNMLVJHQCAB-UHFFFAOYSA-N
MW110.16 g/mol
LogP0.65
Rot. Bonds1

About 2-pyrrolidin-2-ylacetonitrile

2-pyrrolidin-2-ylacetonitrile (PubChem CID 12896132) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is 2-pyrrolidin-2-ylacetonitrile.

Molecular Properties

Compound Name2-pyrrolidin-2-ylacetonitrile
PubChem CID12896132
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC Name2-pyrrolidin-2-ylacetonitrile
SMILESN#CCC1CCCN1
InChIInChI=1S/C6H10N2/c7-4-3-6-2-1-5-8-6/h6,8H,1-3,5H2
InChIKeyLDOZNMLVJHQCAB-UHFFFAOYSA-N
XLogP0.65
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 18724132
CID 18724132
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piperidin-2-ylmethylcyanamide
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[(2S)-pyrrolidin-2-yl]methanol;zinc
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1-cyano-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]methanesulfonamide
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2-methylpropane;2-piperazin-2-ylacetonitrile
CID 162736664
2-(2-cyclopropylethyl)pyrrolidine
CID 23166213
(2S)-2-(2-chloroethyl)pyrrolidine
CID 11367237
2-(cyclobutylmethyl)pyrrolidine
CID 77248341
2-pyrrolidin-2-ylethanamine
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Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-2-ylacetonitrile?
The IUPAC name of 2-pyrrolidin-2-ylacetonitrile (CID 12896132) is 2-pyrrolidin-2-ylacetonitrile.
What is the SMILES notation for 2-pyrrolidin-2-ylacetonitrile?
The canonical SMILES for 2-pyrrolidin-2-ylacetonitrile is N#CCC1CCCN1.
What is the InChIKey of 2-pyrrolidin-2-ylacetonitrile?
The InChIKey is LDOZNMLVJHQCAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2/c7-4-3-6-2-1-5-8-6/h6,8H,1-3,5H2.
What are the key properties of 2-pyrrolidin-2-ylacetonitrile?
2-pyrrolidin-2-ylacetonitrile has a molecular weight of 110.16 g/mol, XLogP of 0.65, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-2-ylacetonitrile is sourced from PubChem (CID 12896132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).