[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-(5-ethylfuran-2-yl)methanone

C14H22N2O3 — CID 66052175

IUPAC[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-(5-ethylfuran-2-yl)methanone
SMILESCCc1ccc(C(=O)N2CC(O)CC2CN(C)C)o1
InChIInChI=1S/C14H22N2O3/c1-4-12-5-6-13(19-12)14(18)16-9-11(17)7-10(16)8-15(2)3/h5-6,10-11,17H,4,7-9H2,1-3H3
InChIKeyCQXBTAZXTCHMCM-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.98
Rot. Bonds4

About [2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-(5-ethylfuran-2-yl)methanone

[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-(5-ethylfuran-2-yl)methanone (PubChem CID 66052175) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is [2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-(5-ethylfuran-2-yl)methanone.

Molecular Properties

Compound Name[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-(5-ethylfuran-2-yl)methanone
PubChem CID66052175
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-(5-ethylfuran-2-yl)methanone
SMILESCCc1ccc(C(=O)N2CC(O)CC2CN(C)C)o1
InChIInChI=1S/C14H22N2O3/c1-4-12-5-6-13(19-12)14(18)16-9-11(17)7-10(16)8-15(2)3/h5-6,10-11,17H,4,7-9H2,1-3H3
InChIKeyCQXBTAZXTCHMCM-UHFFFAOYSA-N
XLogP0.98
TPSA56.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-(5-methylfuran-3-yl)methanone
CID 114821788
1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-phenylethanone
CID 66053160
[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-(3-hydroxyphenyl)methanone
CID 66054865
[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-(2-hydroxy-4-methylphenyl)methanone
CID 66054860
(2-amino-6-methoxyphenyl)-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methanone
CID 81395422
[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone
CID 66053338
(5-bromo-2-methylphenyl)-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methanone
CID 66056446
[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-(5-fluoro-2-methylphenyl)methanone
CID 66053923
(5-ethylfuran-2-yl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 79028614
[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-(2-fluoro-5-sulfanylphenyl)methanone
CID 107031692
[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone
CID 66120281
(2-chloro-4-pyridinyl)-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methanone
CID 66056211

Frequently Asked Questions

What is the IUPAC name of [2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-(5-ethylfuran-2-yl)methanone?
The IUPAC name of [2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-(5-ethylfuran-2-yl)methanone (CID 66052175) is [2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-(5-ethylfuran-2-yl)methanone.
What is the SMILES notation for [2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-(5-ethylfuran-2-yl)methanone?
The canonical SMILES for [2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-(5-ethylfuran-2-yl)methanone is CCc1ccc(C(=O)N2CC(O)CC2CN(C)C)o1.
What is the InChIKey of [2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-(5-ethylfuran-2-yl)methanone?
The InChIKey is CQXBTAZXTCHMCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-4-12-5-6-13(19-12)14(18)16-9-11(17)7-10(16)8-15(2)3/h5-6,10-11,17H,4,7-9H2,1-3H3.
What are the key properties of [2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-(5-ethylfuran-2-yl)methanone?
[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-(5-ethylfuran-2-yl)methanone has a molecular weight of 266.34 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-(5-ethylfuran-2-yl)methanone is sourced from PubChem (CID 66052175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).