[2-(hydroxymethyl)pyrrolidin-1-yl]-(6-methyl-1-benzofuran-2-yl)methanone

C15H17NO3 — CID 112531904

IUPAC[2-(hydroxymethyl)pyrrolidin-1-yl]-(6-methyl-1-benzofuran-2-yl)methanone
SMILESCc1ccc2cc(C(=O)N3CCCC3CO)oc2c1
InChIInChI=1S/C15H17NO3/c1-10-4-5-11-8-14(19-13(11)7-10)15(18)16-6-2-3-12(16)9-17/h4-5,7-8,12,17H,2-3,6,9H2,1H3
InChIKeyKYBBQZAWVLKYCW-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.34
Rot. Bonds2

About [2-(hydroxymethyl)pyrrolidin-1-yl]-(6-methyl-1-benzofuran-2-yl)methanone

[2-(hydroxymethyl)pyrrolidin-1-yl]-(6-methyl-1-benzofuran-2-yl)methanone (PubChem CID 112531904) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is [2-(hydroxymethyl)pyrrolidin-1-yl]-(6-methyl-1-benzofuran-2-yl)methanone.

Molecular Properties

Compound Name[2-(hydroxymethyl)pyrrolidin-1-yl]-(6-methyl-1-benzofuran-2-yl)methanone
PubChem CID112531904
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Name[2-(hydroxymethyl)pyrrolidin-1-yl]-(6-methyl-1-benzofuran-2-yl)methanone
SMILESCc1ccc2cc(C(=O)N3CCCC3CO)oc2c1
InChIInChI=1S/C15H17NO3/c1-10-4-5-11-8-14(19-13(11)7-10)15(18)16-6-2-3-12(16)9-17/h4-5,7-8,12,17H,2-3,6,9H2,1H3
InChIKeyKYBBQZAWVLKYCW-UHFFFAOYSA-N
XLogP2.34
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(5-methyl-1-benzofuran-2-yl)methanone
CID 66261699
[2-(3-hydroxypropyl)pyrrolidin-1-yl]-(5-methyl-1-benzofuran-2-yl)methanone
CID 62467038
(2,5-dimethylphenyl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 79028912
[2-(aminomethyl)azepan-1-yl]-(5-methyl-1-benzofuran-2-yl)methanone
CID 116639875
(5-amino-1-benzofuran-2-yl)-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116633745
[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(5-methylfuran-2-yl)methanone
CID 66261406
[2-(aminomethyl)pyrrolidin-1-yl]-(5,6-dimethyl-1-benzofuran-2-yl)methanone;hydrochloride
CID 119631264
1-benzofuran-2-yl-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 81484568
(2-fluoro-5-methylphenyl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 55083267
(2,5-dimethylphenyl)-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116635982
(2,4-dimethylphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 43421573
1-benzofuran-2-yl-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone
CID 95351459

Frequently Asked Questions

What is the IUPAC name of [2-(hydroxymethyl)pyrrolidin-1-yl]-(6-methyl-1-benzofuran-2-yl)methanone?
The IUPAC name of [2-(hydroxymethyl)pyrrolidin-1-yl]-(6-methyl-1-benzofuran-2-yl)methanone (CID 112531904) is [2-(hydroxymethyl)pyrrolidin-1-yl]-(6-methyl-1-benzofuran-2-yl)methanone.
What is the SMILES notation for [2-(hydroxymethyl)pyrrolidin-1-yl]-(6-methyl-1-benzofuran-2-yl)methanone?
The canonical SMILES for [2-(hydroxymethyl)pyrrolidin-1-yl]-(6-methyl-1-benzofuran-2-yl)methanone is Cc1ccc2cc(C(=O)N3CCCC3CO)oc2c1.
What is the InChIKey of [2-(hydroxymethyl)pyrrolidin-1-yl]-(6-methyl-1-benzofuran-2-yl)methanone?
The InChIKey is KYBBQZAWVLKYCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-10-4-5-11-8-14(19-13(11)7-10)15(18)16-6-2-3-12(16)9-17/h4-5,7-8,12,17H,2-3,6,9H2,1H3.
What are the key properties of [2-(hydroxymethyl)pyrrolidin-1-yl]-(6-methyl-1-benzofuran-2-yl)methanone?
[2-(hydroxymethyl)pyrrolidin-1-yl]-(6-methyl-1-benzofuran-2-yl)methanone has a molecular weight of 259.31 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hydroxymethyl)pyrrolidin-1-yl]-(6-methyl-1-benzofuran-2-yl)methanone is sourced from PubChem (CID 112531904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).