propan-2-yl 2-[2-(2-chlorophenyl)pyrrolidin-1-yl]acetate

C15H20ClNO2 — CID 56684791

IUPACpropan-2-yl 2-[2-(2-chlorophenyl)pyrrolidin-1-yl]acetate
SMILESCC(C)OC(=O)CN1CCCC1c1ccccc1Cl
InChIInChI=1S/C15H20ClNO2/c1-11(2)19-15(18)10-17-9-5-8-14(17)12-6-3-4-7-13(12)16/h3-4,6-7,11,14H,5,8-10H2,1-2H3
InChIKeyCJBIQGYDDTWSSB-UHFFFAOYSA-N
MW281.78 g/mol
LogP3.43
Rot. Bonds4

About propan-2-yl 2-[2-(2-chlorophenyl)pyrrolidin-1-yl]acetate

propan-2-yl 2-[2-(2-chlorophenyl)pyrrolidin-1-yl]acetate (PubChem CID 56684791) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is propan-2-yl 2-[2-(2-chlorophenyl)pyrrolidin-1-yl]acetate.

Molecular Properties

Compound Namepropan-2-yl 2-[2-(2-chlorophenyl)pyrrolidin-1-yl]acetate
PubChem CID56684791
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC Namepropan-2-yl 2-[2-(2-chlorophenyl)pyrrolidin-1-yl]acetate
SMILESCC(C)OC(=O)CN1CCCC1c1ccccc1Cl
InChIInChI=1S/C15H20ClNO2/c1-11(2)19-15(18)10-17-9-5-8-14(17)12-6-3-4-7-13(12)16/h3-4,6-7,11,14H,5,8-10H2,1-2H3
InChIKeyCJBIQGYDDTWSSB-UHFFFAOYSA-N
XLogP3.43
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[2-(2-chlorophenyl)pyrrolidin-1-yl]acetate?
The IUPAC name of propan-2-yl 2-[2-(2-chlorophenyl)pyrrolidin-1-yl]acetate (CID 56684791) is propan-2-yl 2-[2-(2-chlorophenyl)pyrrolidin-1-yl]acetate.
What is the SMILES notation for propan-2-yl 2-[2-(2-chlorophenyl)pyrrolidin-1-yl]acetate?
The canonical SMILES for propan-2-yl 2-[2-(2-chlorophenyl)pyrrolidin-1-yl]acetate is CC(C)OC(=O)CN1CCCC1c1ccccc1Cl.
What is the InChIKey of propan-2-yl 2-[2-(2-chlorophenyl)pyrrolidin-1-yl]acetate?
The InChIKey is CJBIQGYDDTWSSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO2/c1-11(2)19-15(18)10-17-9-5-8-14(17)12-6-3-4-7-13(12)16/h3-4,6-7,11,14H,5,8-10H2,1-2H3.
What are the key properties of propan-2-yl 2-[2-(2-chlorophenyl)pyrrolidin-1-yl]acetate?
propan-2-yl 2-[2-(2-chlorophenyl)pyrrolidin-1-yl]acetate has a molecular weight of 281.78 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[2-(2-chlorophenyl)pyrrolidin-1-yl]acetate is sourced from PubChem (CID 56684791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).