N-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpyrrolidine-3-carboxamide

C14H18N2O2 — CID 79388352

IUPACN-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpyrrolidine-3-carboxamide
SMILESCC1NCCC1C(=O)Nc1ccc2c(c1)CCO2
InChIInChI=1S/C14H18N2O2/c1-9-12(4-6-15-9)14(17)16-11-2-3-13-10(8-11)5-7-18-13/h2-3,8-9,12,15H,4-7H2,1H3,(H,16,17)
InChIKeyQPBZBMQYCOFLDP-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.56
Rot. Bonds2

About N-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpyrrolidine-3-carboxamide

N-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpyrrolidine-3-carboxamide (PubChem CID 79388352) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpyrrolidine-3-carboxamide
PubChem CID79388352
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC NameN-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpyrrolidine-3-carboxamide
SMILESCC1NCCC1C(=O)Nc1ccc2c(c1)CCO2
InChIInChI=1S/C14H18N2O2/c1-9-12(4-6-15-9)14(17)16-11-2-3-13-10(8-11)5-7-18-13/h2-3,8-9,12,15H,4-7H2,1H3,(H,16,17)
InChIKeyQPBZBMQYCOFLDP-UHFFFAOYSA-N
XLogP1.56
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dihydro-1-benzofuran-5-yl)-2-methylcyclopropane-1-carboxamide
CID 42951853
2-(2,3-dihydro-1-benzofuran-5-ylcarbamoyl)cyclobutane-1-carboxylic acid
CID 120975485
N-[4-(carbamoylamino)phenyl]-2-methylpyrrolidine-3-carboxamide
CID 79388750
2-methyl-N-(4-methylphenyl)pyrrolidine-3-carboxamide
CID 79382752
4-(2,3-dihydro-1-benzofuran-5-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 120673090
N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methylpyrrolidine-3-carboxamide
CID 79388149
N-(2,3-dihydro-1-benzofuran-5-yl)oxolane-2-carboxamide
CID 42951848
N-(4-bromo-3-methylphenyl)-2-methylpyrrolidine-3-carboxamide
CID 79382988
N-(4-bromophenyl)-2-methylpyrrolidine-3-carboxamide
CID 79382667
N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-2-methylpyrrolidine-3-carboxamide
CID 79378598
N-(2,3-dihydro-1-benzofuran-5-yl)cyclohex-3-ene-1-carboxamide
CID 42951851
2-methyl-N-[4-(2-methylpropanoylamino)phenyl]pyrrolidine-3-carboxamide
CID 79378348

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpyrrolidine-3-carboxamide?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpyrrolidine-3-carboxamide (CID 79388352) is N-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpyrrolidine-3-carboxamide is CC1NCCC1C(=O)Nc1ccc2c(c1)CCO2.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpyrrolidine-3-carboxamide?
The InChIKey is QPBZBMQYCOFLDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-9-12(4-6-15-9)14(17)16-11-2-3-13-10(8-11)5-7-18-13/h2-3,8-9,12,15H,4-7H2,1H3,(H,16,17).
What are the key properties of N-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpyrrolidine-3-carboxamide?
N-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpyrrolidine-3-carboxamide has a molecular weight of 246.31 g/mol, XLogP of 1.56, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 79388352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).