2-pyrrolidin-1-yl-1H-pyrrole

C8H12N2 — CID 18316671

IUPAC2-pyrrolidin-1-yl-1H-pyrrole
SMILESc1c[nH]c(N2CCCC2)c1
InChIInChI=1S/C8H12N2/c1-2-7-10(6-1)8-4-3-5-9-8/h3-5,9H,1-2,6-7H2
InChIKeyNFIRJTFUOGTUPN-UHFFFAOYSA-N
MW136.20 g/mol
LogP1.61
Rot. Bonds1

About 2-pyrrolidin-1-yl-1H-pyrrole

2-pyrrolidin-1-yl-1H-pyrrole (PubChem CID 18316671) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 2-pyrrolidin-1-yl-1H-pyrrole.

Molecular Properties

Compound Name2-pyrrolidin-1-yl-1H-pyrrole
PubChem CID18316671
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name2-pyrrolidin-1-yl-1H-pyrrole
SMILESc1c[nH]c(N2CCCC2)c1
InChIInChI=1S/C8H12N2/c1-2-7-10(6-1)8-4-3-5-9-8/h3-5,9H,1-2,6-7H2
InChIKeyNFIRJTFUOGTUPN-UHFFFAOYSA-N
XLogP1.61
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-1-yl-1H-pyrrole?
The IUPAC name of 2-pyrrolidin-1-yl-1H-pyrrole (CID 18316671) is 2-pyrrolidin-1-yl-1H-pyrrole.
What is the SMILES notation for 2-pyrrolidin-1-yl-1H-pyrrole?
The canonical SMILES for 2-pyrrolidin-1-yl-1H-pyrrole is c1c[nH]c(N2CCCC2)c1.
What is the InChIKey of 2-pyrrolidin-1-yl-1H-pyrrole?
The InChIKey is NFIRJTFUOGTUPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c1-2-7-10(6-1)8-4-3-5-9-8/h3-5,9H,1-2,6-7H2.
What are the key properties of 2-pyrrolidin-1-yl-1H-pyrrole?
2-pyrrolidin-1-yl-1H-pyrrole has a molecular weight of 136.20 g/mol, XLogP of 1.61, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-1-yl-1H-pyrrole is sourced from PubChem (CID 18316671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).