ethyl 5-[(3S)-3-(furan-2-yl)pyrrolidin-1-yl]pentanoate

C15H23NO3 — CID 97215479

IUPACethyl 5-[(3S)-3-(furan-2-yl)pyrrolidin-1-yl]pentanoate
SMILESCCOC(=O)CCCCN1CC[C@H](c2ccco2)C1
InChIInChI=1S/C15H23NO3/c1-2-18-15(17)7-3-4-9-16-10-8-13(12-16)14-6-5-11-19-14/h5-6,11,13H,2-4,7-10,12H2,1H3/t13-/m0/s1
InChIKeyRGYVDJATBTYIOR-ZDUSSCGKSA-N
MW265.35 g/mol
LogP2.80
Rot. Bonds7

About ethyl 5-[(3S)-3-(furan-2-yl)pyrrolidin-1-yl]pentanoate

ethyl 5-[(3S)-3-(furan-2-yl)pyrrolidin-1-yl]pentanoate (PubChem CID 97215479) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is ethyl 5-[(3S)-3-(furan-2-yl)pyrrolidin-1-yl]pentanoate.

Molecular Properties

Compound Nameethyl 5-[(3S)-3-(furan-2-yl)pyrrolidin-1-yl]pentanoate
PubChem CID97215479
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Nameethyl 5-[(3S)-3-(furan-2-yl)pyrrolidin-1-yl]pentanoate
SMILESCCOC(=O)CCCCN1CC[C@H](c2ccco2)C1
InChIInChI=1S/C15H23NO3/c1-2-18-15(17)7-3-4-9-16-10-8-13(12-16)14-6-5-11-19-14/h5-6,11,13H,2-4,7-10,12H2,1H3/t13-/m0/s1
InChIKeyRGYVDJATBTYIOR-ZDUSSCGKSA-N
XLogP2.80
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 ethyl 5-[(3S)-3-(furan-2-yl)pyrrolidin-1-yl]pentanoate?
The IUPAC name of ethyl 5-[(3S)-3-(furan-2-yl)pyrrolidin-1-yl]pentanoate (CID 97215479) is ethyl 5-[(3S)-3-(furan-2-yl)pyrrolidin-1-yl]pentanoate.
What is the SMILES notation for ethyl 5-[(3S)-3-(furan-2-yl)pyrrolidin-1-yl]pentanoate?
The canonical SMILES for ethyl 5-[(3S)-3-(furan-2-yl)pyrrolidin-1-yl]pentanoate is CCOC(=O)CCCCN1CC[C@H](c2ccco2)C1.
What is the InChIKey of ethyl 5-[(3S)-3-(furan-2-yl)pyrrolidin-1-yl]pentanoate?
The InChIKey is RGYVDJATBTYIOR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H23NO3/c1-2-18-15(17)7-3-4-9-16-10-8-13(12-16)14-6-5-11-19-14/h5-6,11,13H,2-4,7-10,12H2,1H3/t13-/m0/s1.
What are the key properties of ethyl 5-[(3S)-3-(furan-2-yl)pyrrolidin-1-yl]pentanoate?
ethyl 5-[(3S)-3-(furan-2-yl)pyrrolidin-1-yl]pentanoate has a molecular weight of 265.35 g/mol, XLogP of 2.80, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(3S)-3-(furan-2-yl)pyrrolidin-1-yl]pentanoate is sourced from PubChem (CID 97215479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).