5-propan-2-yl-1H-pyrrole-2-carbonitrile

C8H10N2 — CID 141018308

IUPAC5-propan-2-yl-1H-pyrrole-2-carbonitrile
SMILESCC(C)c1ccc(C#N)[nH]1
InChIInChI=1S/C8H10N2/c1-6(2)8-4-3-7(5-9)10-8/h3-4,6,10H,1-2H3
InChIKeyJOODNUYQVZRBCW-UHFFFAOYSA-N
MW134.18 g/mol
LogP2.01
Rot. Bonds1

About 5-propan-2-yl-1H-pyrrole-2-carbonitrile

5-propan-2-yl-1H-pyrrole-2-carbonitrile (PubChem CID 141018308) has the molecular formula C8H10N2 and a molecular weight of 134.18 g/mol. Its IUPAC name is 5-propan-2-yl-1H-pyrrole-2-carbonitrile.

Molecular Properties

Compound Name5-propan-2-yl-1H-pyrrole-2-carbonitrile
PubChem CID141018308
Molecular FormulaC8H10N2
Molecular Weight134.18 g/mol
Exact Mass134.08
IUPAC Name5-propan-2-yl-1H-pyrrole-2-carbonitrile
SMILESCC(C)c1ccc(C#N)[nH]1
InChIInChI=1S/C8H10N2/c1-6(2)8-4-3-7(5-9)10-8/h3-4,6,10H,1-2H3
InChIKeyJOODNUYQVZRBCW-UHFFFAOYSA-N
XLogP2.01
TPSA39.58 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-1H-pyrrole-2-carbonitrile?
The IUPAC name of 5-propan-2-yl-1H-pyrrole-2-carbonitrile (CID 141018308) is 5-propan-2-yl-1H-pyrrole-2-carbonitrile.
What is the SMILES notation for 5-propan-2-yl-1H-pyrrole-2-carbonitrile?
The canonical SMILES for 5-propan-2-yl-1H-pyrrole-2-carbonitrile is CC(C)c1ccc(C#N)[nH]1.
What is the InChIKey of 5-propan-2-yl-1H-pyrrole-2-carbonitrile?
The InChIKey is JOODNUYQVZRBCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2/c1-6(2)8-4-3-7(5-9)10-8/h3-4,6,10H,1-2H3.
What are the key properties of 5-propan-2-yl-1H-pyrrole-2-carbonitrile?
5-propan-2-yl-1H-pyrrole-2-carbonitrile has a molecular weight of 134.18 g/mol, XLogP of 2.01, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-1H-pyrrole-2-carbonitrile is sourced from PubChem (CID 141018308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).