1-(1H-pyrrol-2-yl)cyclopropane-1-carbonitrile

C8H8N2 — CID 83694235

IUPAC1-(1H-pyrrol-2-yl)cyclopropane-1-carbonitrile
SMILESN#CC1(c2ccc[nH]2)CC1
InChIInChI=1S/C8H8N2/c9-6-8(3-4-8)7-2-1-5-10-7/h1-2,5,10H,3-4H2
InChIKeyLNHPLEDFMXJSRG-UHFFFAOYSA-N
MW132.17 g/mol
LogP1.57
Rot. Bonds1

About 1-(1H-pyrrol-2-yl)cyclopropane-1-carbonitrile

1-(1H-pyrrol-2-yl)cyclopropane-1-carbonitrile (PubChem CID 83694235) has the molecular formula C8H8N2 and a molecular weight of 132.17 g/mol. Its IUPAC name is 1-(1H-pyrrol-2-yl)cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-(1H-pyrrol-2-yl)cyclopropane-1-carbonitrile
PubChem CID83694235
Molecular FormulaC8H8N2
Molecular Weight132.17 g/mol
Exact Mass132.07
IUPAC Name1-(1H-pyrrol-2-yl)cyclopropane-1-carbonitrile
SMILESN#CC1(c2ccc[nH]2)CC1
InChIInChI=1S/C8H8N2/c9-6-8(3-4-8)7-2-1-5-10-7/h1-2,5,10H,3-4H2
InChIKeyLNHPLEDFMXJSRG-UHFFFAOYSA-N
XLogP1.57
TPSA39.58 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.17
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-pyrrol-2-yl)cyclopropane-1-carbonitrile?
The IUPAC name of 1-(1H-pyrrol-2-yl)cyclopropane-1-carbonitrile (CID 83694235) is 1-(1H-pyrrol-2-yl)cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-(1H-pyrrol-2-yl)cyclopropane-1-carbonitrile?
The canonical SMILES for 1-(1H-pyrrol-2-yl)cyclopropane-1-carbonitrile is N#CC1(c2ccc[nH]2)CC1.
What is the InChIKey of 1-(1H-pyrrol-2-yl)cyclopropane-1-carbonitrile?
The InChIKey is LNHPLEDFMXJSRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2/c9-6-8(3-4-8)7-2-1-5-10-7/h1-2,5,10H,3-4H2.
What are the key properties of 1-(1H-pyrrol-2-yl)cyclopropane-1-carbonitrile?
1-(1H-pyrrol-2-yl)cyclopropane-1-carbonitrile has a molecular weight of 132.17 g/mol, XLogP of 1.57, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-pyrrol-2-yl)cyclopropane-1-carbonitrile is sourced from PubChem (CID 83694235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).