3-phenyl-1-pyrrolidin-1-yl-2,5-dihydropyrrole

C14H18N2 — CID 67305184

IUPAC3-phenyl-1-pyrrolidin-1-yl-2,5-dihydropyrrole
SMILESC1=C(c2ccccc2)CN(N2CCCC2)C1
InChIInChI=1S/C14H18N2/c1-2-6-13(7-3-1)14-8-11-16(12-14)15-9-4-5-10-15/h1-3,6-8H,4-5,9-12H2
InChIKeyPLEOIWRMWZUCDI-UHFFFAOYSA-N
MW214.31 g/mol
LogP2.40
Rot. Bonds2

About 3-phenyl-1-pyrrolidin-1-yl-2,5-dihydropyrrole

3-phenyl-1-pyrrolidin-1-yl-2,5-dihydropyrrole (PubChem CID 67305184) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 3-phenyl-1-pyrrolidin-1-yl-2,5-dihydropyrrole.

Molecular Properties

Compound Name3-phenyl-1-pyrrolidin-1-yl-2,5-dihydropyrrole
PubChem CID67305184
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name3-phenyl-1-pyrrolidin-1-yl-2,5-dihydropyrrole
SMILESC1=C(c2ccccc2)CN(N2CCCC2)C1
InChIInChI=1S/C14H18N2/c1-2-6-13(7-3-1)14-8-11-16(12-14)15-9-4-5-10-15/h1-3,6-8H,4-5,9-12H2
InChIKeyPLEOIWRMWZUCDI-UHFFFAOYSA-N
XLogP2.40
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1-pyrrolidin-1-yl-2,5-dihydropyrrole?
The IUPAC name of 3-phenyl-1-pyrrolidin-1-yl-2,5-dihydropyrrole (CID 67305184) is 3-phenyl-1-pyrrolidin-1-yl-2,5-dihydropyrrole.
What is the SMILES notation for 3-phenyl-1-pyrrolidin-1-yl-2,5-dihydropyrrole?
The canonical SMILES for 3-phenyl-1-pyrrolidin-1-yl-2,5-dihydropyrrole is C1=C(c2ccccc2)CN(N2CCCC2)C1.
What is the InChIKey of 3-phenyl-1-pyrrolidin-1-yl-2,5-dihydropyrrole?
The InChIKey is PLEOIWRMWZUCDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-2-6-13(7-3-1)14-8-11-16(12-14)15-9-4-5-10-15/h1-3,6-8H,4-5,9-12H2.
What are the key properties of 3-phenyl-1-pyrrolidin-1-yl-2,5-dihydropyrrole?
3-phenyl-1-pyrrolidin-1-yl-2,5-dihydropyrrole has a molecular weight of 214.31 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1-pyrrolidin-1-yl-2,5-dihydropyrrole is sourced from PubChem (CID 67305184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).