3-aminopyrrolidine-2-carbonitrile

C5H9N3 — CID 149437349

IUPAC3-aminopyrrolidine-2-carbonitrile
SMILESN#CC1NCCC1N
InChIInChI=1S/C5H9N3/c6-3-5-4(7)1-2-8-5/h4-5,8H,1-2,7H2
InChIKeyHXSRWVNAUYULSF-UHFFFAOYSA-N
MW111.15 g/mol
LogP-0.80
Rot. Bonds

About 3-aminopyrrolidine-2-carbonitrile

3-aminopyrrolidine-2-carbonitrile (PubChem CID 149437349) has the molecular formula C5H9N3 and a molecular weight of 111.15 g/mol. Its IUPAC name is 3-aminopyrrolidine-2-carbonitrile.

Molecular Properties

Compound Name3-aminopyrrolidine-2-carbonitrile
PubChem CID149437349
Molecular FormulaC5H9N3
Molecular Weight111.15 g/mol
Exact Mass111.08
IUPAC Name3-aminopyrrolidine-2-carbonitrile
SMILESN#CC1NCCC1N
InChIInChI=1S/C5H9N3/c6-3-5-4(7)1-2-8-5/h4-5,8H,1-2,7H2
InChIKeyHXSRWVNAUYULSF-UHFFFAOYSA-N
XLogP-0.80
TPSA61.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.15
LogP ≤ 5-0.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-azetidine-2-carbonitrile;hydrochloride
CID 118798148
3-hydroxypiperidine-2-carbonitrile
CID 146783264
(2R)-azetidine-2-carbonitrile;oxalic acid
CID 163197852
bis((2S)-azetidine-2-carbonitrile);oxalic acid
CID 127263309
piperidine-2-carbonitrile
CID 71315056
(3R)-3-aminopyrrolidine-2-carbaldehyde
CID 174720036
(2R,3R)-2-ethylpyrrolidin-3-amine
CID 90066491
ethane;3-ethylpyrrolidin-2-amine
CID 142313180
(2S)-3-aminopyrrolidine-2-carboxylic acid
CID 45092524
(2S)-azetidine-2-carbonitrile;2,2,2-trifluoroacetic acid
CID 174211158
trans-(1R,2S)-2-aminocyclopentane-1-carbonitrile
CID 50989537
4-methylpiperidine-2-carbonitrile
CID 18928247

Frequently Asked Questions

What is the IUPAC name of 3-aminopyrrolidine-2-carbonitrile?
The IUPAC name of 3-aminopyrrolidine-2-carbonitrile (CID 149437349) is 3-aminopyrrolidine-2-carbonitrile.
What is the SMILES notation for 3-aminopyrrolidine-2-carbonitrile?
The canonical SMILES for 3-aminopyrrolidine-2-carbonitrile is N#CC1NCCC1N.
What is the InChIKey of 3-aminopyrrolidine-2-carbonitrile?
The InChIKey is HXSRWVNAUYULSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3/c6-3-5-4(7)1-2-8-5/h4-5,8H,1-2,7H2.
What are the key properties of 3-aminopyrrolidine-2-carbonitrile?
3-aminopyrrolidine-2-carbonitrile has a molecular weight of 111.15 g/mol, XLogP of -0.80, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminopyrrolidine-2-carbonitrile is sourced from PubChem (CID 149437349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).