furan-2-yl-[3-(3-phenylpropoxy)pyrrolidin-1-yl]methanone

C18H21NO3 — CID 71860926

IUPACfuran-2-yl-[3-(3-phenylpropoxy)pyrrolidin-1-yl]methanone
SMILESO=C(c1ccco1)N1CCC(OCCCc2ccccc2)C1
InChIInChI=1S/C18H21NO3/c20-18(17-9-5-13-22-17)19-11-10-16(14-19)21-12-4-8-15-6-2-1-3-7-15/h1-3,5-7,9,13,16H,4,8,10-12,14H2
InChIKeyUHKSNXRTGIGEKB-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.14
Rot. Bonds6

About furan-2-yl-[3-(3-phenylpropoxy)pyrrolidin-1-yl]methanone

furan-2-yl-[3-(3-phenylpropoxy)pyrrolidin-1-yl]methanone (PubChem CID 71860926) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is furan-2-yl-[3-(3-phenylpropoxy)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[3-(3-phenylpropoxy)pyrrolidin-1-yl]methanone
PubChem CID71860926
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Namefuran-2-yl-[3-(3-phenylpropoxy)pyrrolidin-1-yl]methanone
SMILESO=C(c1ccco1)N1CCC(OCCCc2ccccc2)C1
InChIInChI=1S/C18H21NO3/c20-18(17-9-5-13-22-17)19-11-10-16(14-19)21-12-4-8-15-6-2-1-3-7-15/h1-3,5-7,9,13,16H,4,8,10-12,14H2
InChIKeyUHKSNXRTGIGEKB-UHFFFAOYSA-N
XLogP3.14
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.14
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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Related Compounds

furan-3-yl-[3-(3-phenylpropoxy)pyrrolidin-1-yl]methanone
CID 71976252
4-[3-(3-phenylpropoxy)pyrrolidine-1-carbonyl]benzamide
CID 119152144
2-[3-(3-phenylpropoxy)pyrrolidine-1-carbonyl]cyclobutane-1-carboxylic acid
CID 120977041
3-[1-(furan-2-carbonyl)piperidin-4-yl]oxypropanoic acid
CID 63875477
2-(methylamino)-1-[3-(3-phenylpropoxy)pyrrolidin-1-yl]ethanone
CID 119815560
(2-methyl-1H-pyrrol-3-yl)-[3-(3-phenylpropoxy)pyrrolidin-1-yl]methanone
CID 71860925
(1-aminocyclopropyl)-[3-(3-phenylpropoxy)pyrrolidin-1-yl]methanone;hydrochloride
CID 119815537
2-amino-2-phenyl-1-[3-(3-phenylpropoxy)pyrrolidin-1-yl]ethanone
CID 119341905
4-[[[3-(3-phenylpropoxy)pyrrolidine-1-carbonyl]amino]methyl]benzoic acid
CID 122020316
2-[1-(hydroxymethyl)cyclopropyl]-1-[(3S)-3-(3-phenylpropoxy)pyrrolidin-1-yl]ethanone
CID 97015364
[4-(difluoromethylsulfonyl)phenyl]-[(3S)-3-(3-phenylpropoxy)pyrrolidin-1-yl]methanone
CID 96530094
6-[3-(3-phenylpropoxy)pyrrolidine-1-carbonyl]pyridine-3-carboxamide
CID 119152127

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[3-(3-phenylpropoxy)pyrrolidin-1-yl]methanone?
The IUPAC name of furan-2-yl-[3-(3-phenylpropoxy)pyrrolidin-1-yl]methanone (CID 71860926) is furan-2-yl-[3-(3-phenylpropoxy)pyrrolidin-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[3-(3-phenylpropoxy)pyrrolidin-1-yl]methanone?
The canonical SMILES for furan-2-yl-[3-(3-phenylpropoxy)pyrrolidin-1-yl]methanone is O=C(c1ccco1)N1CCC(OCCCc2ccccc2)C1.
What is the InChIKey of furan-2-yl-[3-(3-phenylpropoxy)pyrrolidin-1-yl]methanone?
The InChIKey is UHKSNXRTGIGEKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c20-18(17-9-5-13-22-17)19-11-10-16(14-19)21-12-4-8-15-6-2-1-3-7-15/h1-3,5-7,9,13,16H,4,8,10-12,14H2.
What are the key properties of furan-2-yl-[3-(3-phenylpropoxy)pyrrolidin-1-yl]methanone?
furan-2-yl-[3-(3-phenylpropoxy)pyrrolidin-1-yl]methanone has a molecular weight of 299.37 g/mol, XLogP of 3.14, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[3-(3-phenylpropoxy)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 71860926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).