2-benzyl-1-(1,3-dioxol-4-yl)pyrrolidine

C14H17NO2 — CID 68695668

IUPAC2-benzyl-1-(1,3-dioxol-4-yl)pyrrolidine
SMILESC1=C(N2CCCC2Cc2ccccc2)OCO1
InChIInChI=1S/C14H17NO2/c1-2-5-12(6-3-1)9-13-7-4-8-15(13)14-10-16-11-17-14/h1-3,5-6,10,13H,4,7-9,11H2
InChIKeyBXPPOXOOSVPSCL-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.50
Rot. Bonds3

About 2-benzyl-1-(1,3-dioxol-4-yl)pyrrolidine

2-benzyl-1-(1,3-dioxol-4-yl)pyrrolidine (PubChem CID 68695668) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-benzyl-1-(1,3-dioxol-4-yl)pyrrolidine.

Molecular Properties

Compound Name2-benzyl-1-(1,3-dioxol-4-yl)pyrrolidine
PubChem CID68695668
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC Name2-benzyl-1-(1,3-dioxol-4-yl)pyrrolidine
SMILESC1=C(N2CCCC2Cc2ccccc2)OCO1
InChIInChI=1S/C14H17NO2/c1-2-5-12(6-3-1)9-13-7-4-8-15(13)14-10-16-11-17-14/h1-3,5-6,10,13H,4,7-9,11H2
InChIKeyBXPPOXOOSVPSCL-UHFFFAOYSA-N
XLogP2.50
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1-(1,3-dioxol-4-yl)pyrrolidine?
The IUPAC name of 2-benzyl-1-(1,3-dioxol-4-yl)pyrrolidine (CID 68695668) is 2-benzyl-1-(1,3-dioxol-4-yl)pyrrolidine.
What is the SMILES notation for 2-benzyl-1-(1,3-dioxol-4-yl)pyrrolidine?
The canonical SMILES for 2-benzyl-1-(1,3-dioxol-4-yl)pyrrolidine is C1=C(N2CCCC2Cc2ccccc2)OCO1.
What is the InChIKey of 2-benzyl-1-(1,3-dioxol-4-yl)pyrrolidine?
The InChIKey is BXPPOXOOSVPSCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-2-5-12(6-3-1)9-13-7-4-8-15(13)14-10-16-11-17-14/h1-3,5-6,10,13H,4,7-9,11H2.
What are the key properties of 2-benzyl-1-(1,3-dioxol-4-yl)pyrrolidine?
2-benzyl-1-(1,3-dioxol-4-yl)pyrrolidine has a molecular weight of 231.30 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1-(1,3-dioxol-4-yl)pyrrolidine is sourced from PubChem (CID 68695668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).