2-pyrrolidin-1-ylprop-2-enenitrile

C7H10N2 — CID 14592812

IUPAC2-pyrrolidin-1-ylprop-2-enenitrile
SMILESC=C(C#N)N1CCCC1
InChIInChI=1S/C7H10N2/c1-7(6-8)9-4-2-3-5-9/h1-5H2
InChIKeyLHVLOCLXLUFPIG-UHFFFAOYSA-N
MW122.17 g/mol
LogP1.12
Rot. Bonds1

About 2-pyrrolidin-1-ylprop-2-enenitrile

2-pyrrolidin-1-ylprop-2-enenitrile (PubChem CID 14592812) has the molecular formula C7H10N2 and a molecular weight of 122.17 g/mol. Its IUPAC name is 2-pyrrolidin-1-ylprop-2-enenitrile.

Molecular Properties

Compound Name2-pyrrolidin-1-ylprop-2-enenitrile
PubChem CID14592812
Molecular FormulaC7H10N2
Molecular Weight122.17 g/mol
Exact Mass122.08
IUPAC Name2-pyrrolidin-1-ylprop-2-enenitrile
SMILESC=C(C#N)N1CCCC1
InChIInChI=1S/C7H10N2/c1-7(6-8)9-4-2-3-5-9/h1-5H2
InChIKeyLHVLOCLXLUFPIG-UHFFFAOYSA-N
XLogP1.12
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

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Related Compounds

dipyrrolidin-1-ylmethylidenecyanamide
CID 101164131
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CID 164763675
N-methylpyrrolidine-1-carboximidoyl cyanide
CID 123728316
1-(1-chloroethenyl)pyrrolidine
CID 89278928
(3Z)-4-amino-4-piperidin-1-ylbuta-1,3-diene-1,1,3-tricarbonitrile
CID 10398835
1-prop-1-en-2-ylpiperidine
CID 12570653
2,2-dimethyl-3-oxo-3-pyrrolidin-1-ylpropanenitrile;ethene
CID 144507445
ethane;1-prop-1-en-2-ylpiperidine
CID 142839582
2,2-bis[2-(azepan-1-yl)-2-oxoethyl]propanedinitrile
CID 4555474
(Z,4Z)-2-bromo-3-methyl-4-(1-pyrrolidin-1-ylethylidene)pent-2-enedinitrile
CID 154691814
(E)-2-dipyrrolidin-1-ylphosphanyl-3-pyrrolidin-1-ylbut-2-enenitrile
CID 102054217
3-piperidin-1-yl-3-sulfanylidenepropanenitrile
CID 12863613

Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-1-ylprop-2-enenitrile?
The IUPAC name of 2-pyrrolidin-1-ylprop-2-enenitrile (CID 14592812) is 2-pyrrolidin-1-ylprop-2-enenitrile.
What is the SMILES notation for 2-pyrrolidin-1-ylprop-2-enenitrile?
The canonical SMILES for 2-pyrrolidin-1-ylprop-2-enenitrile is C=C(C#N)N1CCCC1.
What is the InChIKey of 2-pyrrolidin-1-ylprop-2-enenitrile?
The InChIKey is LHVLOCLXLUFPIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2/c1-7(6-8)9-4-2-3-5-9/h1-5H2.
What are the key properties of 2-pyrrolidin-1-ylprop-2-enenitrile?
2-pyrrolidin-1-ylprop-2-enenitrile has a molecular weight of 122.17 g/mol, XLogP of 1.12, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-1-ylprop-2-enenitrile is sourced from PubChem (CID 14592812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).