3-pyrrolidin-1-ylpropyl 1-phenylcyclopentane-1-carboxylate

C19H27NO2 — CID 662372

IUPAC3-pyrrolidin-1-ylpropyl 1-phenylcyclopentane-1-carboxylate
SMILESO=C(OCCCN1CCCC1)C1(c2ccccc2)CCCC1
InChIInChI=1S/C19H27NO2/c21-18(22-16-8-15-20-13-6-7-14-20)19(11-4-5-12-19)17-9-2-1-3-10-17/h1-3,9-10H,4-8,11-16H2
InChIKeyQUHQDIBTGMUZLX-UHFFFAOYSA-N
MW301.43 g/mol
LogP3.53
Rot. Bonds6

About 3-pyrrolidin-1-ylpropyl 1-phenylcyclopentane-1-carboxylate

3-pyrrolidin-1-ylpropyl 1-phenylcyclopentane-1-carboxylate (PubChem CID 662372) has the molecular formula C19H27NO2 and a molecular weight of 301.43 g/mol. Its IUPAC name is 3-pyrrolidin-1-ylpropyl 1-phenylcyclopentane-1-carboxylate.

Molecular Properties

Compound Name3-pyrrolidin-1-ylpropyl 1-phenylcyclopentane-1-carboxylate
PubChem CID662372
Molecular FormulaC19H27NO2
Molecular Weight301.43 g/mol
Exact Mass301.20
IUPAC Name3-pyrrolidin-1-ylpropyl 1-phenylcyclopentane-1-carboxylate
SMILESO=C(OCCCN1CCCC1)C1(c2ccccc2)CCCC1
InChIInChI=1S/C19H27NO2/c21-18(22-16-8-15-20-13-6-7-14-20)19(11-4-5-12-19)17-9-2-1-3-10-17/h1-3,9-10H,4-8,11-16H2
InChIKeyQUHQDIBTGMUZLX-UHFFFAOYSA-N
XLogP3.53
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-pyrrolidin-1-ylpropyl 1-phenylcyclopentane-1-carboxylate?
The IUPAC name of 3-pyrrolidin-1-ylpropyl 1-phenylcyclopentane-1-carboxylate (CID 662372) is 3-pyrrolidin-1-ylpropyl 1-phenylcyclopentane-1-carboxylate.
What is the SMILES notation for 3-pyrrolidin-1-ylpropyl 1-phenylcyclopentane-1-carboxylate?
The canonical SMILES for 3-pyrrolidin-1-ylpropyl 1-phenylcyclopentane-1-carboxylate is O=C(OCCCN1CCCC1)C1(c2ccccc2)CCCC1.
What is the InChIKey of 3-pyrrolidin-1-ylpropyl 1-phenylcyclopentane-1-carboxylate?
The InChIKey is QUHQDIBTGMUZLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO2/c21-18(22-16-8-15-20-13-6-7-14-20)19(11-4-5-12-19)17-9-2-1-3-10-17/h1-3,9-10H,4-8,11-16H2.
What are the key properties of 3-pyrrolidin-1-ylpropyl 1-phenylcyclopentane-1-carboxylate?
3-pyrrolidin-1-ylpropyl 1-phenylcyclopentane-1-carboxylate has a molecular weight of 301.43 g/mol, XLogP of 3.53, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrrolidin-1-ylpropyl 1-phenylcyclopentane-1-carboxylate is sourced from PubChem (CID 662372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).