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

C12H17NO3 — CID 62468240

IUPACfuran-3-yl-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
SMILESO=C(c1ccoc1)N1CCCC1CCCO
InChIInChI=1S/C12H17NO3/c14-7-2-4-11-3-1-6-13(11)12(15)10-5-8-16-9-10/h5,8-9,11,14H,1-4,6-7H2
InChIKeyDWAOKVBTJNXZGR-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.66
Rot. Bonds4

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

furan-3-yl-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone (PubChem CID 62468240) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is furan-3-yl-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Namefuran-3-yl-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
PubChem CID62468240
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Namefuran-3-yl-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
SMILESO=C(c1ccoc1)N1CCCC1CCCO
InChIInChI=1S/C12H17NO3/c14-7-2-4-11-3-1-6-13(11)12(15)10-5-8-16-9-10/h5,8-9,11,14H,1-4,6-7H2
InChIKeyDWAOKVBTJNXZGR-UHFFFAOYSA-N
XLogP1.66
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(chloromethyl)pyrrolidin-1-yl]-(furan-3-yl)methanone
CID 63394223
(2-bromo-4-pyridinyl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 103933017
(3,5-dibromophenyl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 103932935
2,3-dihydro-1,4-benzodioxin-6-yl-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 62468235
[2-(3-hydroxypropyl)pyrrolidin-1-yl]-(3,4,5-trifluorophenyl)methanone
CID 63186797
(2-bromofuran-3-yl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 106853880
(4-amino-3-hydroxyphenyl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 107075139
[2-(3-hydroxypropyl)pyrrolidin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 62468426
[2-(3-hydroxypropyl)pyrrolidin-1-yl]-(5-methylfuran-2-yl)methanone
CID 62467531
(3-bromo-4-fluorophenyl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 113354392
N'-hydroxy-3-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]benzenecarboximidamide
CID 76944197
[4-(3-aminoprop-1-ynyl)phenyl]-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 62478726

Frequently Asked Questions

What is the IUPAC name of furan-3-yl-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone?
The IUPAC name of furan-3-yl-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone (CID 62468240) is furan-3-yl-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for furan-3-yl-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for furan-3-yl-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone is O=C(c1ccoc1)N1CCCC1CCCO.
What is the InChIKey of furan-3-yl-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone?
The InChIKey is DWAOKVBTJNXZGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c14-7-2-4-11-3-1-6-13(11)12(15)10-5-8-16-9-10/h5,8-9,11,14H,1-4,6-7H2.
What are the key properties of furan-3-yl-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone?
furan-3-yl-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone has a molecular weight of 223.27 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for furan-3-yl-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 62468240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).