3H-pyrrolizine-1-carbonitrile

C8H6N2 — CID 154064388

IUPAC3H-pyrrolizine-1-carbonitrile
SMILESN#CC1=CCn2cccc21
InChIInChI=1S/C8H6N2/c9-6-7-3-5-10-4-1-2-8(7)10/h1-4H,5H2
InChIKeyFEXKREBQHZNKPV-UHFFFAOYSA-N
MW130.15 g/mol
LogP1.41
Rot. Bonds

About 3H-pyrrolizine-1-carbonitrile

3H-pyrrolizine-1-carbonitrile (PubChem CID 154064388) has the molecular formula C8H6N2 and a molecular weight of 130.15 g/mol. Its IUPAC name is 3H-pyrrolizine-1-carbonitrile.

Molecular Properties

Compound Name3H-pyrrolizine-1-carbonitrile
PubChem CID154064388
Molecular FormulaC8H6N2
Molecular Weight130.15 g/mol
Exact Mass130.05
IUPAC Name3H-pyrrolizine-1-carbonitrile
SMILESN#CC1=CCn2cccc21
InChIInChI=1S/C8H6N2/c9-6-7-3-5-10-4-1-2-8(7)10/h1-4H,5H2
InChIKeyFEXKREBQHZNKPV-UHFFFAOYSA-N
XLogP1.41
TPSA28.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.15
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

cyclohexa-2,6-diene-1,2-dicarbonitrile
CID 154029388
2-(1-methylpyrrol-2-yl)benzonitrile
CID 44606283
cyclohepta-2,7-diene-1,2-dicarbonitrile
CID 135275572
1-[[(2S)-oxiran-2-yl]methyl]pyrrole-2-carbonitrile
CID 130493195
3-(2-cyanophenyl)-2,5-dihydropyrrole-1-carboxylic acid
CID 134500411
CID 173065607
CID 173065607
4H-pyrrolo[1,2-a]pyrazine-1,3-dione
CID 131082784
1-(4-methylphenyl)pyrrole-2-carbonitrile
CID 2797715
pyrrolizine-1,3-dione
CID 75295321
2-(2,5-dihydropyrrol-1-yl)benzonitrile
CID 55265767
1-pyrrolidin-1-yl-2,3-dihydro-1H-pyrrolizine-2-carbonitrile
CID 13010022
1-[(2R)-2-hydroxypropyl]pyrrole-2-carbonitrile
CID 106932986

Frequently Asked Questions

What is the IUPAC name of 3H-pyrrolizine-1-carbonitrile?
The IUPAC name of 3H-pyrrolizine-1-carbonitrile (CID 154064388) is 3H-pyrrolizine-1-carbonitrile.
What is the SMILES notation for 3H-pyrrolizine-1-carbonitrile?
The canonical SMILES for 3H-pyrrolizine-1-carbonitrile is N#CC1=CCn2cccc21.
What is the InChIKey of 3H-pyrrolizine-1-carbonitrile?
The InChIKey is FEXKREBQHZNKPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2/c9-6-7-3-5-10-4-1-2-8(7)10/h1-4H,5H2.
What are the key properties of 3H-pyrrolizine-1-carbonitrile?
3H-pyrrolizine-1-carbonitrile has a molecular weight of 130.15 g/mol, XLogP of 1.41, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-pyrrolizine-1-carbonitrile is sourced from PubChem (CID 154064388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).