2-pyrrol-1-ylpent-4-enenitrile

C9H10N2 — CID 67593374

IUPAC2-pyrrol-1-ylpent-4-enenitrile
SMILESC=CCC(C#N)n1cccc1
InChIInChI=1S/C9H10N2/c1-2-5-9(8-10)11-6-3-4-7-11/h2-4,6-7,9H,1,5H2
InChIKeyKXZBDNUXIHTENW-UHFFFAOYSA-N
MW146.19 g/mol
LogP2.13
Rot. Bonds3

About 2-pyrrol-1-ylpent-4-enenitrile

2-pyrrol-1-ylpent-4-enenitrile (PubChem CID 67593374) has the molecular formula C9H10N2 and a molecular weight of 146.19 g/mol. Its IUPAC name is 2-pyrrol-1-ylpent-4-enenitrile.

Molecular Properties

Compound Name2-pyrrol-1-ylpent-4-enenitrile
PubChem CID67593374
Molecular FormulaC9H10N2
Molecular Weight146.19 g/mol
Exact Mass146.08
IUPAC Name2-pyrrol-1-ylpent-4-enenitrile
SMILESC=CCC(C#N)n1cccc1
InChIInChI=1S/C9H10N2/c1-2-5-9(8-10)11-6-3-4-7-11/h2-4,6-7,9H,1,5H2
InChIKeyKXZBDNUXIHTENW-UHFFFAOYSA-N
XLogP2.13
TPSA28.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-pyrrol-1-ylpent-4-enenitrile?
The IUPAC name of 2-pyrrol-1-ylpent-4-enenitrile (CID 67593374) is 2-pyrrol-1-ylpent-4-enenitrile.
What is the SMILES notation for 2-pyrrol-1-ylpent-4-enenitrile?
The canonical SMILES for 2-pyrrol-1-ylpent-4-enenitrile is C=CCC(C#N)n1cccc1.
What is the InChIKey of 2-pyrrol-1-ylpent-4-enenitrile?
The InChIKey is KXZBDNUXIHTENW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2/c1-2-5-9(8-10)11-6-3-4-7-11/h2-4,6-7,9H,1,5H2.
What are the key properties of 2-pyrrol-1-ylpent-4-enenitrile?
2-pyrrol-1-ylpent-4-enenitrile has a molecular weight of 146.19 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrol-1-ylpent-4-enenitrile is sourced from PubChem (CID 67593374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).