[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-(5-methylfuran-3-yl)methanone

C12H17NO3 — CID 102737812

IUPAC[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-(5-methylfuran-3-yl)methanone
SMILESCc1cc(C(=O)N2CCC(C)C2CO)co1
InChIInChI=1S/C12H17NO3/c1-8-3-4-13(11(8)6-14)12(15)10-5-9(2)16-7-10/h5,7-8,11,14H,3-4,6H2,1-2H3
InChIKeyNWVDYFBZJNTVIC-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.43
Rot. Bonds2

About [2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-(5-methylfuran-3-yl)methanone

[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-(5-methylfuran-3-yl)methanone (PubChem CID 102737812) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is [2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-(5-methylfuran-3-yl)methanone.

Molecular Properties

Compound Name[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-(5-methylfuran-3-yl)methanone
PubChem CID102737812
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-(5-methylfuran-3-yl)methanone
SMILESCc1cc(C(=O)N2CCC(C)C2CO)co1
InChIInChI=1S/C12H17NO3/c1-8-3-4-13(11(8)6-14)12(15)10-5-9(2)16-7-10/h5,7-8,11,14H,3-4,6H2,1-2H3
InChIKeyNWVDYFBZJNTVIC-UHFFFAOYSA-N
XLogP1.43
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

furan-3-yl-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone
CID 102738155
[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-pyrimidin-5-ylmethanone
CID 102738443
[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 102738038
[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-[3-(3-hydroxyprop-1-ynyl)-5-methylphenyl]methanone
CID 102787050
(3,6-dimethylpyridazin-4-yl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone
CID 102738116
[2-(fluoromethyl)pyrrolidin-1-yl]-(5-methylfuran-3-yl)methanone
CID 126769437
2,3-dihydro-1H-indol-6-yl-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone
CID 102780631
(5-amino-2-methylphenyl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone
CID 102777011
(5-bromo-2-methylphenyl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone
CID 102738277
(4-bromo-2-hydroxyphenyl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone
CID 102737810
[5-(3-aminoprop-1-ynyl)thiophen-3-yl]-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone
CID 102787091
[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 102737857

Frequently Asked Questions

What is the IUPAC name of [2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-(5-methylfuran-3-yl)methanone?
The IUPAC name of [2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-(5-methylfuran-3-yl)methanone (CID 102737812) is [2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-(5-methylfuran-3-yl)methanone.
What is the SMILES notation for [2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-(5-methylfuran-3-yl)methanone?
The canonical SMILES for [2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-(5-methylfuran-3-yl)methanone is Cc1cc(C(=O)N2CCC(C)C2CO)co1.
What is the InChIKey of [2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-(5-methylfuran-3-yl)methanone?
The InChIKey is NWVDYFBZJNTVIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-8-3-4-13(11(8)6-14)12(15)10-5-9(2)16-7-10/h5,7-8,11,14H,3-4,6H2,1-2H3.
What are the key properties of [2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-(5-methylfuran-3-yl)methanone?
[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-(5-methylfuran-3-yl)methanone has a molecular weight of 223.27 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-(5-methylfuran-3-yl)methanone is sourced from PubChem (CID 102737812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).