5-[(E)-pyrrolidin-2-ylidenemethyl]-3,4-dihydro-2H-pyrrole

C9H14N2 — CID 68988836

IUPAC5-[(E)-pyrrolidin-2-ylidenemethyl]-3,4-dihydro-2H-pyrrole
SMILESC(\C1=NCCC1)=C1\CCCN1
InChIInChI=1S/C9H14N2/c1-3-8(10-5-1)7-9-4-2-6-11-9/h7,10H,1-6H2/b8-7+
InChIKeyUIKFDXXRUXTOCI-BQYQJAHWSA-N
MW150.22 g/mol
LogP1.49
Rot. Bonds1

About 5-[(E)-pyrrolidin-2-ylidenemethyl]-3,4-dihydro-2H-pyrrole

5-[(E)-pyrrolidin-2-ylidenemethyl]-3,4-dihydro-2H-pyrrole (PubChem CID 68988836) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 5-[(E)-pyrrolidin-2-ylidenemethyl]-3,4-dihydro-2H-pyrrole.

Molecular Properties

Compound Name5-[(E)-pyrrolidin-2-ylidenemethyl]-3,4-dihydro-2H-pyrrole
PubChem CID68988836
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name5-[(E)-pyrrolidin-2-ylidenemethyl]-3,4-dihydro-2H-pyrrole
SMILESC(\C1=NCCC1)=C1\CCCN1
InChIInChI=1S/C9H14N2/c1-3-8(10-5-1)7-9-4-2-6-11-9/h7,10H,1-6H2/b8-7+
InChIKeyUIKFDXXRUXTOCI-BQYQJAHWSA-N
XLogP1.49
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(E)-pyrrolidin-2-ylidenemethyl]-3,4-dihydro-2H-pyrrole?
The IUPAC name of 5-[(E)-pyrrolidin-2-ylidenemethyl]-3,4-dihydro-2H-pyrrole (CID 68988836) is 5-[(E)-pyrrolidin-2-ylidenemethyl]-3,4-dihydro-2H-pyrrole.
What is the SMILES notation for 5-[(E)-pyrrolidin-2-ylidenemethyl]-3,4-dihydro-2H-pyrrole?
The canonical SMILES for 5-[(E)-pyrrolidin-2-ylidenemethyl]-3,4-dihydro-2H-pyrrole is C(\C1=NCCC1)=C1\CCCN1.
What is the InChIKey of 5-[(E)-pyrrolidin-2-ylidenemethyl]-3,4-dihydro-2H-pyrrole?
The InChIKey is UIKFDXXRUXTOCI-BQYQJAHWSA-N. The full InChI is InChI=1S/C9H14N2/c1-3-8(10-5-1)7-9-4-2-6-11-9/h7,10H,1-6H2/b8-7+.
What are the key properties of 5-[(E)-pyrrolidin-2-ylidenemethyl]-3,4-dihydro-2H-pyrrole?
5-[(E)-pyrrolidin-2-ylidenemethyl]-3,4-dihydro-2H-pyrrole has a molecular weight of 150.22 g/mol, XLogP of 1.49, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-pyrrolidin-2-ylidenemethyl]-3,4-dihydro-2H-pyrrole is sourced from PubChem (CID 68988836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).