2-(1H-pyrrol-3-yl)butanenitrile

C8H10N2 — CID 116834273

IUPAC2-(1H-pyrrol-3-yl)butanenitrile
SMILESCCC(C#N)c1cc[nH]c1
InChIInChI=1S/C8H10N2/c1-2-7(5-9)8-3-4-10-6-8/h3-4,6-7,10H,2H2,1H3
InChIKeyZDKVQAAQAFGKOW-UHFFFAOYSA-N
MW134.18 g/mol
LogP2.03
Rot. Bonds2

About 2-(1H-pyrrol-3-yl)butanenitrile

2-(1H-pyrrol-3-yl)butanenitrile (PubChem CID 116834273) has the molecular formula C8H10N2 and a molecular weight of 134.18 g/mol. Its IUPAC name is 2-(1H-pyrrol-3-yl)butanenitrile.

Molecular Properties

Compound Name2-(1H-pyrrol-3-yl)butanenitrile
PubChem CID116834273
Molecular FormulaC8H10N2
Molecular Weight134.18 g/mol
Exact Mass134.08
IUPAC Name2-(1H-pyrrol-3-yl)butanenitrile
SMILESCCC(C#N)c1cc[nH]c1
InChIInChI=1S/C8H10N2/c1-2-7(5-9)8-3-4-10-6-8/h3-4,6-7,10H,2H2,1H3
InChIKeyZDKVQAAQAFGKOW-UHFFFAOYSA-N
XLogP2.03
TPSA39.58 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-ethyl-1H-pyrrole
CID 258383
1-(1H-pyrrol-3-yl)propan-2-amine
CID 13437356
3,4-Diethylpyrrole
CID 10909563
(Z)-2-phenyl-3-(1H-pyrrol-2-yl)prop-2-enenitrile
CID 11506618
3-ethyl-4-methyl-1H-pyrrole
CID 10877070
4-(Pyrrolidin-3-yl)pyridine
CID 4993105
3-tert-butyl-1H-pyrrole
CID 11029829
3-n-Octylpyrrole
CID 14510078
3-isopropyl-1H-pyrrole
CID 13165124
1-Methyl-2-(1-pentyl-1H-pyrrol-3-yl)-ethylamine
CID 14739643
(Z)-2-(2-Methyl-phenyl)-3-(1H-pyrrol-2-yl)acrylonitrile
CID 11564718
1H-Pyrrole, 3-propyl-
CID 137076

Frequently Asked Questions

What is the IUPAC name of 2-(1H-pyrrol-3-yl)butanenitrile?
The IUPAC name of 2-(1H-pyrrol-3-yl)butanenitrile (CID 116834273) is 2-(1H-pyrrol-3-yl)butanenitrile.
What is the SMILES notation for 2-(1H-pyrrol-3-yl)butanenitrile?
The canonical SMILES for 2-(1H-pyrrol-3-yl)butanenitrile is CCC(C#N)c1cc[nH]c1.
What is the InChIKey of 2-(1H-pyrrol-3-yl)butanenitrile?
The InChIKey is ZDKVQAAQAFGKOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2/c1-2-7(5-9)8-3-4-10-6-8/h3-4,6-7,10H,2H2,1H3.
What are the key properties of 2-(1H-pyrrol-3-yl)butanenitrile?
2-(1H-pyrrol-3-yl)butanenitrile has a molecular weight of 134.18 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-pyrrol-3-yl)butanenitrile is sourced from PubChem (CID 116834273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).