N-[2-(hydroxymethyl)cyclopentyl]-2,3-dihydro-1-benzofuran-3-carboxamide

C15H19NO3 — CID 103759058

IUPACN-[2-(hydroxymethyl)cyclopentyl]-2,3-dihydro-1-benzofuran-3-carboxamide
SMILESO=C(NC1CCCC1CO)C1COc2ccccc21
InChIInChI=1S/C15H19NO3/c17-8-10-4-3-6-13(10)16-15(18)12-9-19-14-7-2-1-5-11(12)14/h1-2,5,7,10,12-13,17H,3-4,6,8-9H2,(H,16,18)
InChIKeyCOJFHOYQFBJHOA-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.44
Rot. Bonds3

About N-[2-(hydroxymethyl)cyclopentyl]-2,3-dihydro-1-benzofuran-3-carboxamide

N-[2-(hydroxymethyl)cyclopentyl]-2,3-dihydro-1-benzofuran-3-carboxamide (PubChem CID 103759058) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-[2-(hydroxymethyl)cyclopentyl]-2,3-dihydro-1-benzofuran-3-carboxamide.

Molecular Properties

Compound NameN-[2-(hydroxymethyl)cyclopentyl]-2,3-dihydro-1-benzofuran-3-carboxamide
PubChem CID103759058
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC NameN-[2-(hydroxymethyl)cyclopentyl]-2,3-dihydro-1-benzofuran-3-carboxamide
SMILESO=C(NC1CCCC1CO)C1COc2ccccc21
InChIInChI=1S/C15H19NO3/c17-8-10-4-3-6-13(10)16-15(18)12-9-19-14-7-2-1-5-11(12)14/h1-2,5,7,10,12-13,17H,3-4,6,8-9H2,(H,16,18)
InChIKeyCOJFHOYQFBJHOA-UHFFFAOYSA-N
XLogP1.44
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-[(1R,2R)-2-carbamoylcyclopentyl]-2,3-dihydro-1-benzofuran-3-carboxamide
CID 124734322
N-[2-(hydroxymethyl)cyclopentyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 103774164
N-[2-(hydroxymethyl)cyclohexyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 103798575
(3S)-N-[(1R,2R)-2-ethylcyclopropyl]-2,3-dihydro-1-benzofuran-3-carboxamide
CID 99808270
N-[2-(hydroxymethyl)cyclopentyl]-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 103774219
N-[(2-bromocyclopentyl)methyl]-2,3-dihydro-1-benzofuran-3-carboxamide
CID 114313869
1-(3,4-dihydro-2H-chromen-3-yl)-3-[2-(hydroxymethyl)cyclohexyl]urea
CID 111630644
(3R)-N-[(1R,2R)-2-pyrazol-1-ylcyclohexyl]-2,3-dihydro-1-benzofuran-3-carboxamide
CID 124776517
bis(2,3-dihydro-1-benzofuran-3-yl)methanone
CID 174352835
N-(2-aminocycloheptyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 63708325
N-(2-carbamothioylcyclopentyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 63709938
[2-[(2,3-dihydro-1-benzofuran-3-ylmethylamino)methyl]cyclopentyl]methanol
CID 79227078

Frequently Asked Questions

What is the IUPAC name of N-[2-(hydroxymethyl)cyclopentyl]-2,3-dihydro-1-benzofuran-3-carboxamide?
The IUPAC name of N-[2-(hydroxymethyl)cyclopentyl]-2,3-dihydro-1-benzofuran-3-carboxamide (CID 103759058) is N-[2-(hydroxymethyl)cyclopentyl]-2,3-dihydro-1-benzofuran-3-carboxamide.
What is the SMILES notation for N-[2-(hydroxymethyl)cyclopentyl]-2,3-dihydro-1-benzofuran-3-carboxamide?
The canonical SMILES for N-[2-(hydroxymethyl)cyclopentyl]-2,3-dihydro-1-benzofuran-3-carboxamide is O=C(NC1CCCC1CO)C1COc2ccccc21.
What is the InChIKey of N-[2-(hydroxymethyl)cyclopentyl]-2,3-dihydro-1-benzofuran-3-carboxamide?
The InChIKey is COJFHOYQFBJHOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c17-8-10-4-3-6-13(10)16-15(18)12-9-19-14-7-2-1-5-11(12)14/h1-2,5,7,10,12-13,17H,3-4,6,8-9H2,(H,16,18).
What are the key properties of N-[2-(hydroxymethyl)cyclopentyl]-2,3-dihydro-1-benzofuran-3-carboxamide?
N-[2-(hydroxymethyl)cyclopentyl]-2,3-dihydro-1-benzofuran-3-carboxamide has a molecular weight of 261.32 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(hydroxymethyl)cyclopentyl]-2,3-dihydro-1-benzofuran-3-carboxamide is sourced from PubChem (CID 103759058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).