1-(1-phenylethenyl)pyrrolidine

C12H15N — CID 599085

IUPAC1-(1-phenylethenyl)pyrrolidine
SMILESC=C(c1ccccc1)N1CCCC1
InChIInChI=1S/C12H15N/c1-11(13-9-5-6-10-13)12-7-3-2-4-8-12/h2-4,7-8H,1,5-6,9-10H2
InChIKeyKSJAGCUHGUGYJF-UHFFFAOYSA-N
MW173.26 g/mol
LogP2.75
Rot. Bonds2

About 1-(1-phenylethenyl)pyrrolidine

1-(1-phenylethenyl)pyrrolidine (PubChem CID 599085) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is 1-(1-phenylethenyl)pyrrolidine.

Molecular Properties

Compound Name1-(1-phenylethenyl)pyrrolidine
PubChem CID599085
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC Name1-(1-phenylethenyl)pyrrolidine
SMILESC=C(c1ccccc1)N1CCCC1
InChIInChI=1S/C12H15N/c1-11(13-9-5-6-10-13)12-7-3-2-4-8-12/h2-4,7-8H,1,5-6,9-10H2
InChIKeyKSJAGCUHGUGYJF-UHFFFAOYSA-N
XLogP2.75
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(1-phenylethenyl)pyrrolidine?
The IUPAC name of 1-(1-phenylethenyl)pyrrolidine (CID 599085) is 1-(1-phenylethenyl)pyrrolidine.
What is the SMILES notation for 1-(1-phenylethenyl)pyrrolidine?
The canonical SMILES for 1-(1-phenylethenyl)pyrrolidine is C=C(c1ccccc1)N1CCCC1.
What is the InChIKey of 1-(1-phenylethenyl)pyrrolidine?
The InChIKey is KSJAGCUHGUGYJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N/c1-11(13-9-5-6-10-13)12-7-3-2-4-8-12/h2-4,7-8H,1,5-6,9-10H2.
What are the key properties of 1-(1-phenylethenyl)pyrrolidine?
1-(1-phenylethenyl)pyrrolidine has a molecular weight of 173.26 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenylethenyl)pyrrolidine is sourced from PubChem (CID 599085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).