2-(pyrrolidin-1-ylmethylidene)pyrrole

C9H12N2 — CID 71396807

IUPAC2-(pyrrolidin-1-ylmethylidene)pyrrole
SMILESC1=CC(=CN2CCCC2)N=C1
InChIInChI=1S/C9H12N2/c1-2-7-11(6-1)8-9-4-3-5-10-9/h3-5,8H,1-2,6-7H2
InChIKeyPYWBZPSJAOZVSU-UHFFFAOYSA-N
MW148.21 g/mol
LogP1.56
Rot. Bonds1

About 2-(pyrrolidin-1-ylmethylidene)pyrrole

2-(pyrrolidin-1-ylmethylidene)pyrrole (PubChem CID 71396807) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is 2-(pyrrolidin-1-ylmethylidene)pyrrole.

Molecular Properties

Compound Name2-(pyrrolidin-1-ylmethylidene)pyrrole
PubChem CID71396807
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name2-(pyrrolidin-1-ylmethylidene)pyrrole
SMILESC1=CC(=CN2CCCC2)N=C1
InChIInChI=1S/C9H12N2/c1-2-7-11(6-1)8-9-4-3-5-10-9/h3-5,8H,1-2,6-7H2
InChIKeyPYWBZPSJAOZVSU-UHFFFAOYSA-N
XLogP1.56
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(pyrrolidin-1-ylmethylidene)pyrrole?
The IUPAC name of 2-(pyrrolidin-1-ylmethylidene)pyrrole (CID 71396807) is 2-(pyrrolidin-1-ylmethylidene)pyrrole.
What is the SMILES notation for 2-(pyrrolidin-1-ylmethylidene)pyrrole?
The canonical SMILES for 2-(pyrrolidin-1-ylmethylidene)pyrrole is C1=CC(=CN2CCCC2)N=C1.
What is the InChIKey of 2-(pyrrolidin-1-ylmethylidene)pyrrole?
The InChIKey is PYWBZPSJAOZVSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2/c1-2-7-11(6-1)8-9-4-3-5-10-9/h3-5,8H,1-2,6-7H2.
What are the key properties of 2-(pyrrolidin-1-ylmethylidene)pyrrole?
2-(pyrrolidin-1-ylmethylidene)pyrrole has a molecular weight of 148.21 g/mol, XLogP of 1.56, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyrrolidin-1-ylmethylidene)pyrrole is sourced from PubChem (CID 71396807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).