4-ethyl-5-propan-2-yl-1H-pyrrole-3-carbonitrile

C10H14N2 — CID 176926524

IUPAC4-ethyl-5-propan-2-yl-1H-pyrrole-3-carbonitrile
SMILESCCc1c(C#N)c[nH]c1C(C)C
InChIInChI=1S/C10H14N2/c1-4-9-8(5-11)6-12-10(9)7(2)3/h6-7,12H,4H2,1-3H3
InChIKeyWWJJKROSYCVBLA-UHFFFAOYSA-N
MW162.24 g/mol
LogP2.57
Rot. Bonds2

About 4-ethyl-5-propan-2-yl-1H-pyrrole-3-carbonitrile

4-ethyl-5-propan-2-yl-1H-pyrrole-3-carbonitrile (PubChem CID 176926524) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is 4-ethyl-5-propan-2-yl-1H-pyrrole-3-carbonitrile.

Molecular Properties

Compound Name4-ethyl-5-propan-2-yl-1H-pyrrole-3-carbonitrile
PubChem CID176926524
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name4-ethyl-5-propan-2-yl-1H-pyrrole-3-carbonitrile
SMILESCCc1c(C#N)c[nH]c1C(C)C
InChIInChI=1S/C10H14N2/c1-4-9-8(5-11)6-12-10(9)7(2)3/h6-7,12H,4H2,1-3H3
InChIKeyWWJJKROSYCVBLA-UHFFFAOYSA-N
XLogP2.57
TPSA39.58 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-propan-2-yl-1H-pyrrole-3-carbonitrile?
The IUPAC name of 4-ethyl-5-propan-2-yl-1H-pyrrole-3-carbonitrile (CID 176926524) is 4-ethyl-5-propan-2-yl-1H-pyrrole-3-carbonitrile.
What is the SMILES notation for 4-ethyl-5-propan-2-yl-1H-pyrrole-3-carbonitrile?
The canonical SMILES for 4-ethyl-5-propan-2-yl-1H-pyrrole-3-carbonitrile is CCc1c(C#N)c[nH]c1C(C)C.
What is the InChIKey of 4-ethyl-5-propan-2-yl-1H-pyrrole-3-carbonitrile?
The InChIKey is WWJJKROSYCVBLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2/c1-4-9-8(5-11)6-12-10(9)7(2)3/h6-7,12H,4H2,1-3H3.
What are the key properties of 4-ethyl-5-propan-2-yl-1H-pyrrole-3-carbonitrile?
4-ethyl-5-propan-2-yl-1H-pyrrole-3-carbonitrile has a molecular weight of 162.24 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-propan-2-yl-1H-pyrrole-3-carbonitrile is sourced from PubChem (CID 176926524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).