2-pyrrolidin-1-ylethyl 1-phenylcyclopentane-1-carboxylate;hydrochloride

C18H26ClNO2 — CID 6602605

IUPAC2-pyrrolidin-1-ylethyl 1-phenylcyclopentane-1-carboxylate;hydrochloride
SMILESCl.O=C(OCCN1CCCC1)C1(c2ccccc2)CCCC1
InChIInChI=1S/C18H25NO2.ClH/c20-17(21-15-14-19-12-6-7-13-19)18(10-4-5-11-18)16-8-2-1-3-9-16;/h1-3,8-9H,4-7,10-15H2;1H
InChIKeyJFVKVWBDXGXZAZ-UHFFFAOYSA-N
MW323.86 g/mol
LogP3.56
Rot. Bonds5

About 2-pyrrolidin-1-ylethyl 1-phenylcyclopentane-1-carboxylate;hydrochloride

2-pyrrolidin-1-ylethyl 1-phenylcyclopentane-1-carboxylate;hydrochloride (PubChem CID 6602605) has the molecular formula C18H26ClNO2 and a molecular weight of 323.86 g/mol. Its IUPAC name is 2-pyrrolidin-1-ylethyl 1-phenylcyclopentane-1-carboxylate;hydrochloride.

Molecular Properties

Compound Name2-pyrrolidin-1-ylethyl 1-phenylcyclopentane-1-carboxylate;hydrochloride
PubChem CID6602605
Molecular FormulaC18H26ClNO2
Molecular Weight323.86 g/mol
Exact Mass323.17
IUPAC Name2-pyrrolidin-1-ylethyl 1-phenylcyclopentane-1-carboxylate;hydrochloride
SMILESCl.O=C(OCCN1CCCC1)C1(c2ccccc2)CCCC1
InChIInChI=1S/C18H25NO2.ClH/c20-17(21-15-14-19-12-6-7-13-19)18(10-4-5-11-18)16-8-2-1-3-9-16;/h1-3,8-9H,4-7,10-15H2;1H
InChIKeyJFVKVWBDXGXZAZ-UHFFFAOYSA-N
XLogP3.56
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.86
LogP ≤ 53.56
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-phenylcyclopentane-1-carboxylate;hydrochloride?
The IUPAC name of 2-pyrrolidin-1-ylethyl 1-phenylcyclopentane-1-carboxylate;hydrochloride (CID 6602605) is 2-pyrrolidin-1-ylethyl 1-phenylcyclopentane-1-carboxylate;hydrochloride.
What is the SMILES notation for 2-pyrrolidin-1-ylethyl 1-phenylcyclopentane-1-carboxylate;hydrochloride?
The canonical SMILES for 2-pyrrolidin-1-ylethyl 1-phenylcyclopentane-1-carboxylate;hydrochloride is Cl.O=C(OCCN1CCCC1)C1(c2ccccc2)CCCC1.
What is the InChIKey of 2-pyrrolidin-1-ylethyl 1-phenylcyclopentane-1-carboxylate;hydrochloride?
The InChIKey is JFVKVWBDXGXZAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2.ClH/c20-17(21-15-14-19-12-6-7-13-19)18(10-4-5-11-18)16-8-2-1-3-9-16;/h1-3,8-9H,4-7,10-15H2;1H.
What are the key properties of 2-pyrrolidin-1-ylethyl 1-phenylcyclopentane-1-carboxylate;hydrochloride?
2-pyrrolidin-1-ylethyl 1-phenylcyclopentane-1-carboxylate;hydrochloride has a molecular weight of 323.86 g/mol, XLogP of 3.56, 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-phenylcyclopentane-1-carboxylate;hydrochloride is sourced from PubChem (CID 6602605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).