N-[2-(aminomethyl)cyclopentyl]-2,3-dihydro-1-benzofuran-5-carboxamide

C15H20N2O2 — CID 62955860

IUPACN-[2-(aminomethyl)cyclopentyl]-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESNCC1CCCC1NC(=O)c1ccc2c(c1)CCO2
InChIInChI=1S/C15H20N2O2/c16-9-12-2-1-3-13(12)17-15(18)11-4-5-14-10(8-11)6-7-19-14/h4-5,8,12-13H,1-3,6-7,9,16H2,(H,17,18)
InChIKeyJPJXCRBZZVHAFK-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.48
Rot. Bonds3

About N-[2-(aminomethyl)cyclopentyl]-2,3-dihydro-1-benzofuran-5-carboxamide

N-[2-(aminomethyl)cyclopentyl]-2,3-dihydro-1-benzofuran-5-carboxamide (PubChem CID 62955860) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-2,3-dihydro-1-benzofuran-5-carboxamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-2,3-dihydro-1-benzofuran-5-carboxamide
PubChem CID62955860
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESNCC1CCCC1NC(=O)c1ccc2c(c1)CCO2
InChIInChI=1S/C15H20N2O2/c16-9-12-2-1-3-13(12)17-15(18)11-4-5-14-10(8-11)6-7-19-14/h4-5,8,12-13H,1-3,6-7,9,16H2,(H,17,18)
InChIKeyJPJXCRBZZVHAFK-UHFFFAOYSA-N
XLogP1.48
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-2,3-dihydro-1-benzofuran-5-carboxamide?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-2,3-dihydro-1-benzofuran-5-carboxamide (CID 62955860) is N-[2-(aminomethyl)cyclopentyl]-2,3-dihydro-1-benzofuran-5-carboxamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-2,3-dihydro-1-benzofuran-5-carboxamide?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-2,3-dihydro-1-benzofuran-5-carboxamide is NCC1CCCC1NC(=O)c1ccc2c(c1)CCO2.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-2,3-dihydro-1-benzofuran-5-carboxamide?
The InChIKey is JPJXCRBZZVHAFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c16-9-12-2-1-3-13(12)17-15(18)11-4-5-14-10(8-11)6-7-19-14/h4-5,8,12-13H,1-3,6-7,9,16H2,(H,17,18).
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-2,3-dihydro-1-benzofuran-5-carboxamide?
N-[2-(aminomethyl)cyclopentyl]-2,3-dihydro-1-benzofuran-5-carboxamide has a molecular weight of 260.34 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-2,3-dihydro-1-benzofuran-5-carboxamide is sourced from PubChem (CID 62955860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).