[2-(3-hydroxypropyl)pyrrolidin-1-yl]-(5-methylfuran-2-yl)methanone

C13H19NO3 — CID 62467531

IUPAC[2-(3-hydroxypropyl)pyrrolidin-1-yl]-(5-methylfuran-2-yl)methanone
SMILESCc1ccc(C(=O)N2CCCC2CCCO)o1
InChIInChI=1S/C13H19NO3/c1-10-6-7-12(17-10)13(16)14-8-2-4-11(14)5-3-9-15/h6-7,11,15H,2-5,8-9H2,1H3
InChIKeyVXJZVVLGUXFZGY-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.97
Rot. Bonds4

About [2-(3-hydroxypropyl)pyrrolidin-1-yl]-(5-methylfuran-2-yl)methanone

[2-(3-hydroxypropyl)pyrrolidin-1-yl]-(5-methylfuran-2-yl)methanone (PubChem CID 62467531) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is [2-(3-hydroxypropyl)pyrrolidin-1-yl]-(5-methylfuran-2-yl)methanone.

Molecular Properties

Compound Name[2-(3-hydroxypropyl)pyrrolidin-1-yl]-(5-methylfuran-2-yl)methanone
PubChem CID62467531
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name[2-(3-hydroxypropyl)pyrrolidin-1-yl]-(5-methylfuran-2-yl)methanone
SMILESCc1ccc(C(=O)N2CCCC2CCCO)o1
InChIInChI=1S/C13H19NO3/c1-10-6-7-12(17-10)13(16)14-8-2-4-11(14)5-3-9-15/h6-7,11,15H,2-5,8-9H2,1H3
InChIKeyVXJZVVLGUXFZGY-UHFFFAOYSA-N
XLogP1.97
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(5-methylfuran-2-yl)methanone
CID 66261406
[2-(aminomethyl)azepan-1-yl]-(5-methylfuran-2-yl)methanone
CID 116639926
[2-(aminomethyl)piperidin-1-yl]-(5-methylfuran-2-yl)methanone;hydrochloride
CID 119468513
[2-(3-hydroxypropyl)pyrrolidin-1-yl]-(5-methyl-1-benzofuran-2-yl)methanone
CID 62467038
[2-(2-hydroxypropyl)piperidin-1-yl]-(5-methylfuran-2-yl)methanone
CID 79539295
[2-(2-hydroxypropyl)azepan-1-yl]-(5-methylfuran-2-yl)methanone
CID 79560605
(1,5-dimethylpyrrol-2-yl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 62468058
furan-3-yl-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 62468240
(3-hydroxy-2-methylphenyl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 82828961
[2-(3-hydroxypropyl)pyrrolidin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 62468426
[2-(3-hydroxypropyl)pyrrolidin-1-yl]-(4-methyl-1,2-oxazol-5-yl)methanone
CID 66335558
(3,5-dibromophenyl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 103932935

Frequently Asked Questions

What is the IUPAC name of [2-(3-hydroxypropyl)pyrrolidin-1-yl]-(5-methylfuran-2-yl)methanone?
The IUPAC name of [2-(3-hydroxypropyl)pyrrolidin-1-yl]-(5-methylfuran-2-yl)methanone (CID 62467531) is [2-(3-hydroxypropyl)pyrrolidin-1-yl]-(5-methylfuran-2-yl)methanone.
What is the SMILES notation for [2-(3-hydroxypropyl)pyrrolidin-1-yl]-(5-methylfuran-2-yl)methanone?
The canonical SMILES for [2-(3-hydroxypropyl)pyrrolidin-1-yl]-(5-methylfuran-2-yl)methanone is Cc1ccc(C(=O)N2CCCC2CCCO)o1.
What is the InChIKey of [2-(3-hydroxypropyl)pyrrolidin-1-yl]-(5-methylfuran-2-yl)methanone?
The InChIKey is VXJZVVLGUXFZGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-10-6-7-12(17-10)13(16)14-8-2-4-11(14)5-3-9-15/h6-7,11,15H,2-5,8-9H2,1H3.
What are the key properties of [2-(3-hydroxypropyl)pyrrolidin-1-yl]-(5-methylfuran-2-yl)methanone?
[2-(3-hydroxypropyl)pyrrolidin-1-yl]-(5-methylfuran-2-yl)methanone has a molecular weight of 237.30 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-hydroxypropyl)pyrrolidin-1-yl]-(5-methylfuran-2-yl)methanone is sourced from PubChem (CID 62467531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).