N-(2,3-dihydro-1-benzofuran-5-ylmethyl)pyrrolidine-3-carboxamide

C14H18N2O2 — CID 115159530

IUPACN-(2,3-dihydro-1-benzofuran-5-ylmethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCc1ccc2c(c1)CCO2)C1CCNC1
InChIInChI=1S/C14H18N2O2/c17-14(12-3-5-15-9-12)16-8-10-1-2-13-11(7-10)4-6-18-13/h1-2,7,12,15H,3-6,8-9H2,(H,16,17)
InChIKeyRNQSJABBRKUASA-UHFFFAOYSA-N
MW246.31 g/mol
LogP0.85
Rot. Bonds3

About N-(2,3-dihydro-1-benzofuran-5-ylmethyl)pyrrolidine-3-carboxamide

N-(2,3-dihydro-1-benzofuran-5-ylmethyl)pyrrolidine-3-carboxamide (PubChem CID 115159530) 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-ylmethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-5-ylmethyl)pyrrolidine-3-carboxamide
PubChem CID115159530
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC NameN-(2,3-dihydro-1-benzofuran-5-ylmethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCc1ccc2c(c1)CCO2)C1CCNC1
InChIInChI=1S/C14H18N2O2/c17-14(12-3-5-15-9-12)16-8-10-1-2-13-11(7-10)4-6-18-13/h1-2,7,12,15H,3-6,8-9H2,(H,16,17)
InChIKeyRNQSJABBRKUASA-UHFFFAOYSA-N
XLogP0.85
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dihydro-2H-chromen-6-ylmethyl)cyclobutanecarboxamide
CID 110784247
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)piperidine-3-carboxamide
CID 119307672
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)piperidine-4-carboxamide
CID 98037542
2,3-dihydro-1-benzofuran-5-yl(pyrrolidin-3-yl)methanone
CID 116568338
2-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-2-oxoacetic acid
CID 115141351
N-[(3-chloro-4-fluorophenyl)methyl]pyrrolidine-3-carboxamide
CID 63006866
N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)azetidine-3-carboxamide
CID 115158822
(3S)-N-benzylpyrrolidine-3-carboxamide
CID 94915415
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-oxopropanamide
CID 115175685
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-sulfanylacetamide
CID 115167217
4-[(pyrrolidine-3-carbonylamino)methyl]benzoic acid
CID 63005459
N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-[(3S)-pyrrolidin-3-yl]benzamide
CID 95729073

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)pyrrolidine-3-carboxamide (CID 115159530) is N-(2,3-dihydro-1-benzofuran-5-ylmethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-5-ylmethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-5-ylmethyl)pyrrolidine-3-carboxamide is O=C(NCc1ccc2c(c1)CCO2)C1CCNC1.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)pyrrolidine-3-carboxamide?
The InChIKey is RNQSJABBRKUASA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c17-14(12-3-5-15-9-12)16-8-10-1-2-13-11(7-10)4-6-18-13/h1-2,7,12,15H,3-6,8-9H2,(H,16,17).
What are the key properties of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)pyrrolidine-3-carboxamide?
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)pyrrolidine-3-carboxamide has a molecular weight of 246.31 g/mol, XLogP of 0.85, 3 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-ylmethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 115159530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).