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

C14H17NO3 — CID 80710510

IUPACN-[[1-(hydroxymethyl)cyclopropyl]methyl]-2,3-dihydro-1-benzofuran-3-carboxamide
SMILESO=C(NCC1(CO)CC1)C1COc2ccccc21
InChIInChI=1S/C14H17NO3/c16-9-14(5-6-14)8-15-13(17)11-7-18-12-4-2-1-3-10(11)12/h1-4,11,16H,5-9H2,(H,15,17)
InChIKeyZVPYHDDUTOUGME-UHFFFAOYSA-N
MW247.29 g/mol
LogP1.05
Rot. Bonds4

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

N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2,3-dihydro-1-benzofuran-3-carboxamide (PubChem CID 80710510) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2,3-dihydro-1-benzofuran-3-carboxamide.

Molecular Properties

Compound NameN-[[1-(hydroxymethyl)cyclopropyl]methyl]-2,3-dihydro-1-benzofuran-3-carboxamide
PubChem CID80710510
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC NameN-[[1-(hydroxymethyl)cyclopropyl]methyl]-2,3-dihydro-1-benzofuran-3-carboxamide
SMILESO=C(NCC1(CO)CC1)C1COc2ccccc21
InChIInChI=1S/C14H17NO3/c16-9-14(5-6-14)8-15-13(17)11-7-18-12-4-2-1-3-10(11)12/h1-4,11,16H,5-9H2,(H,15,17)
InChIKeyZVPYHDDUTOUGME-UHFFFAOYSA-N
XLogP1.05
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]-2,3-dihydro-1-benzofuran-3-carboxamide
CID 97100987
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 115362407
1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(2,3,4,5-tetrahydro-1-benzoxepin-5-yl)urea
CID 111618744
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2,3-dihydro-1-benzofuran-3-carboxamide
CID 65123924
1-[[(3S)-2,3-dihydro-1-benzofuran-3-carbonyl]amino]cyclopropane-1-carboxylic acid
CID 124636976
N-[[1-(2,3-dihydro-1-benzofuran-3-carbonylamino)cyclopentyl]methyl]-2,6-dioxopiperidine-4-carboxamide
CID 167983743
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 115362476
N-(4-hydroxy-2-methylbutyl)-2,3-dihydro-1-benzofuran-3-carboxamide
CID 66107336
bis(2,3-dihydro-1-benzofuran-3-yl)methanone
CID 174352835
N-(2-amino-2-hydroxyiminoethyl)-2,3-dihydro-1-benzofuran-3-carboxamide
CID 77020893
4-[(3,4-dihydro-2H-chromene-4-carbonylamino)methyl]oxane-4-carboxylic acid
CID 120542145
N-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl)-2,3-dihydro-1-benzofuran-3-carboxamide
CID 126777115

Frequently Asked Questions

What is the IUPAC name of N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2,3-dihydro-1-benzofuran-3-carboxamide?
The IUPAC name of N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2,3-dihydro-1-benzofuran-3-carboxamide (CID 80710510) is N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2,3-dihydro-1-benzofuran-3-carboxamide.
What is the SMILES notation for N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2,3-dihydro-1-benzofuran-3-carboxamide?
The canonical SMILES for N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2,3-dihydro-1-benzofuran-3-carboxamide is O=C(NCC1(CO)CC1)C1COc2ccccc21.
What is the InChIKey of N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2,3-dihydro-1-benzofuran-3-carboxamide?
The InChIKey is ZVPYHDDUTOUGME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c16-9-14(5-6-14)8-15-13(17)11-7-18-12-4-2-1-3-10(11)12/h1-4,11,16H,5-9H2,(H,15,17).
What are the key properties of N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2,3-dihydro-1-benzofuran-3-carboxamide?
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2,3-dihydro-1-benzofuran-3-carboxamide has a molecular weight of 247.29 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2,3-dihydro-1-benzofuran-3-carboxamide is sourced from PubChem (CID 80710510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).