2-pyrrolidin-1-ylethyl 1-(4-chlorophenyl)cyclopentane-1-carboxylate

C18H24ClNO2 — CID 138454525

IUPAC2-pyrrolidin-1-ylethyl 1-(4-chlorophenyl)cyclopentane-1-carboxylate
SMILESO=C(OCCN1CCCC1)C1(c2ccc(Cl)cc2)CCCC1
InChIInChI=1S/C18H24ClNO2/c19-16-7-5-15(6-8-16)18(9-1-2-10-18)17(21)22-14-13-20-11-3-4-12-20/h5-8H,1-4,9-14H2
InChIKeyQNJUSPIBSIPPQQ-UHFFFAOYSA-N
MW321.85 g/mol
LogP3.79
Rot. Bonds5

About 2-pyrrolidin-1-ylethyl 1-(4-chlorophenyl)cyclopentane-1-carboxylate

2-pyrrolidin-1-ylethyl 1-(4-chlorophenyl)cyclopentane-1-carboxylate (PubChem CID 138454525) has the molecular formula C18H24ClNO2 and a molecular weight of 321.85 g/mol. Its IUPAC name is 2-pyrrolidin-1-ylethyl 1-(4-chlorophenyl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Name2-pyrrolidin-1-ylethyl 1-(4-chlorophenyl)cyclopentane-1-carboxylate
PubChem CID138454525
Molecular FormulaC18H24ClNO2
Molecular Weight321.85 g/mol
Exact Mass321.15
IUPAC Name2-pyrrolidin-1-ylethyl 1-(4-chlorophenyl)cyclopentane-1-carboxylate
SMILESO=C(OCCN1CCCC1)C1(c2ccc(Cl)cc2)CCCC1
InChIInChI=1S/C18H24ClNO2/c19-16-7-5-15(6-8-16)18(9-1-2-10-18)17(21)22-14-13-20-11-3-4-12-20/h5-8H,1-4,9-14H2
InChIKeyQNJUSPIBSIPPQQ-UHFFFAOYSA-N
XLogP3.79
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.85
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-1-ylethyl 1-(4-chlorophenyl)cyclopentane-1-carboxylate?
The IUPAC name of 2-pyrrolidin-1-ylethyl 1-(4-chlorophenyl)cyclopentane-1-carboxylate (CID 138454525) is 2-pyrrolidin-1-ylethyl 1-(4-chlorophenyl)cyclopentane-1-carboxylate.
What is the SMILES notation for 2-pyrrolidin-1-ylethyl 1-(4-chlorophenyl)cyclopentane-1-carboxylate?
The canonical SMILES for 2-pyrrolidin-1-ylethyl 1-(4-chlorophenyl)cyclopentane-1-carboxylate is O=C(OCCN1CCCC1)C1(c2ccc(Cl)cc2)CCCC1.
What is the InChIKey of 2-pyrrolidin-1-ylethyl 1-(4-chlorophenyl)cyclopentane-1-carboxylate?
The InChIKey is QNJUSPIBSIPPQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClNO2/c19-16-7-5-15(6-8-16)18(9-1-2-10-18)17(21)22-14-13-20-11-3-4-12-20/h5-8H,1-4,9-14H2.
What are the key properties of 2-pyrrolidin-1-ylethyl 1-(4-chlorophenyl)cyclopentane-1-carboxylate?
2-pyrrolidin-1-ylethyl 1-(4-chlorophenyl)cyclopentane-1-carboxylate has a molecular weight of 321.85 g/mol, XLogP of 3.79, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-1-ylethyl 1-(4-chlorophenyl)cyclopentane-1-carboxylate is sourced from PubChem (CID 138454525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).