5-ethyl-2,3-dihydro-1H-pyrrole-3,4-dicarbonitrile

C8H9N3 — CID 13484527

IUPAC5-ethyl-2,3-dihydro-1H-pyrrole-3,4-dicarbonitrile
SMILESCCC1=C(C#N)C(C#N)CN1
InChIInChI=1S/C8H9N3/c1-2-8-7(4-10)6(3-9)5-11-8/h6,11H,2,5H2,1H3
InChIKeyCSWXDFNFNGXYCO-UHFFFAOYSA-N
MW147.18 g/mol
LogP0.92
Rot. Bonds1

About 5-ethyl-2,3-dihydro-1H-pyrrole-3,4-dicarbonitrile

5-ethyl-2,3-dihydro-1H-pyrrole-3,4-dicarbonitrile (PubChem CID 13484527) has the molecular formula C8H9N3 and a molecular weight of 147.18 g/mol. Its IUPAC name is 5-ethyl-2,3-dihydro-1H-pyrrole-3,4-dicarbonitrile.

Molecular Properties

Compound Name5-ethyl-2,3-dihydro-1H-pyrrole-3,4-dicarbonitrile
PubChem CID13484527
Molecular FormulaC8H9N3
Molecular Weight147.18 g/mol
Exact Mass147.08
IUPAC Name5-ethyl-2,3-dihydro-1H-pyrrole-3,4-dicarbonitrile
SMILESCCC1=C(C#N)C(C#N)CN1
InChIInChI=1S/C8H9N3/c1-2-8-7(4-10)6(3-9)5-11-8/h6,11H,2,5H2,1H3
InChIKeyCSWXDFNFNGXYCO-UHFFFAOYSA-N
XLogP0.92
TPSA59.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2,3-dihydro-1H-pyrrole-3,4-dicarbonitrile?
The IUPAC name of 5-ethyl-2,3-dihydro-1H-pyrrole-3,4-dicarbonitrile (CID 13484527) is 5-ethyl-2,3-dihydro-1H-pyrrole-3,4-dicarbonitrile.
What is the SMILES notation for 5-ethyl-2,3-dihydro-1H-pyrrole-3,4-dicarbonitrile?
The canonical SMILES for 5-ethyl-2,3-dihydro-1H-pyrrole-3,4-dicarbonitrile is CCC1=C(C#N)C(C#N)CN1.
What is the InChIKey of 5-ethyl-2,3-dihydro-1H-pyrrole-3,4-dicarbonitrile?
The InChIKey is CSWXDFNFNGXYCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3/c1-2-8-7(4-10)6(3-9)5-11-8/h6,11H,2,5H2,1H3.
What are the key properties of 5-ethyl-2,3-dihydro-1H-pyrrole-3,4-dicarbonitrile?
5-ethyl-2,3-dihydro-1H-pyrrole-3,4-dicarbonitrile has a molecular weight of 147.18 g/mol, XLogP of 0.92, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2,3-dihydro-1H-pyrrole-3,4-dicarbonitrile is sourced from PubChem (CID 13484527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).