N-[2-(1H-pyrrol-2-yl)ethyl]-2,3-dihydro-1-benzofuran-7-carboxamide

C15H16N2O2 — CID 138026801

IUPACN-[2-(1H-pyrrol-2-yl)ethyl]-2,3-dihydro-1-benzofuran-7-carboxamide
SMILESO=C(NCCc1ccc[nH]1)c1cccc2c1OCC2
InChIInChI=1S/C15H16N2O2/c18-15(17-9-6-12-4-2-8-16-12)13-5-1-3-11-7-10-19-14(11)13/h1-5,8,16H,6-7,9-10H2,(H,17,18)
InChIKeyIGQSBUYXYKXQMF-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.92
Rot. Bonds4

About N-[2-(1H-pyrrol-2-yl)ethyl]-2,3-dihydro-1-benzofuran-7-carboxamide

N-[2-(1H-pyrrol-2-yl)ethyl]-2,3-dihydro-1-benzofuran-7-carboxamide (PubChem CID 138026801) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is N-[2-(1H-pyrrol-2-yl)ethyl]-2,3-dihydro-1-benzofuran-7-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-pyrrol-2-yl)ethyl]-2,3-dihydro-1-benzofuran-7-carboxamide
PubChem CID138026801
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC NameN-[2-(1H-pyrrol-2-yl)ethyl]-2,3-dihydro-1-benzofuran-7-carboxamide
SMILESO=C(NCCc1ccc[nH]1)c1cccc2c1OCC2
InChIInChI=1S/C15H16N2O2/c18-15(17-9-6-12-4-2-8-16-12)13-5-1-3-11-7-10-19-14(11)13/h1-5,8,16H,6-7,9-10H2,(H,17,18)
InChIKeyIGQSBUYXYKXQMF-UHFFFAOYSA-N
XLogP1.92
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-pyrrol-2-yl)ethyl]-2,3-dihydro-1-benzofuran-7-carboxamide?
The IUPAC name of N-[2-(1H-pyrrol-2-yl)ethyl]-2,3-dihydro-1-benzofuran-7-carboxamide (CID 138026801) is N-[2-(1H-pyrrol-2-yl)ethyl]-2,3-dihydro-1-benzofuran-7-carboxamide.
What is the SMILES notation for N-[2-(1H-pyrrol-2-yl)ethyl]-2,3-dihydro-1-benzofuran-7-carboxamide?
The canonical SMILES for N-[2-(1H-pyrrol-2-yl)ethyl]-2,3-dihydro-1-benzofuran-7-carboxamide is O=C(NCCc1ccc[nH]1)c1cccc2c1OCC2.
What is the InChIKey of N-[2-(1H-pyrrol-2-yl)ethyl]-2,3-dihydro-1-benzofuran-7-carboxamide?
The InChIKey is IGQSBUYXYKXQMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c18-15(17-9-6-12-4-2-8-16-12)13-5-1-3-11-7-10-19-14(11)13/h1-5,8,16H,6-7,9-10H2,(H,17,18).
What are the key properties of N-[2-(1H-pyrrol-2-yl)ethyl]-2,3-dihydro-1-benzofuran-7-carboxamide?
N-[2-(1H-pyrrol-2-yl)ethyl]-2,3-dihydro-1-benzofuran-7-carboxamide has a molecular weight of 256.31 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-pyrrol-2-yl)ethyl]-2,3-dihydro-1-benzofuran-7-carboxamide is sourced from PubChem (CID 138026801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).