1-[2-(1-benzofuran-3-yl)-2-oxoethyl]pyrrole-2-carbonitrile

C15H10N2O2 — CID 114651480

IUPAC1-[2-(1-benzofuran-3-yl)-2-oxoethyl]pyrrole-2-carbonitrile
SMILESN#Cc1cccn1CC(=O)c1coc2ccccc12
InChIInChI=1S/C15H10N2O2/c16-8-11-4-3-7-17(11)9-14(18)13-10-19-15-6-2-1-5-12(13)15/h1-7,10H,9H2
InChIKeyGUNLCYPVZYUJIN-UHFFFAOYSA-N
MW250.26 g/mol
LogP2.99
Rot. Bonds3

About 1-[2-(1-benzofuran-3-yl)-2-oxoethyl]pyrrole-2-carbonitrile

1-[2-(1-benzofuran-3-yl)-2-oxoethyl]pyrrole-2-carbonitrile (PubChem CID 114651480) has the molecular formula C15H10N2O2 and a molecular weight of 250.26 g/mol. Its IUPAC name is 1-[2-(1-benzofuran-3-yl)-2-oxoethyl]pyrrole-2-carbonitrile.

Molecular Properties

Compound Name1-[2-(1-benzofuran-3-yl)-2-oxoethyl]pyrrole-2-carbonitrile
PubChem CID114651480
Molecular FormulaC15H10N2O2
Molecular Weight250.26 g/mol
Exact Mass250.07
IUPAC Name1-[2-(1-benzofuran-3-yl)-2-oxoethyl]pyrrole-2-carbonitrile
SMILESN#Cc1cccn1CC(=O)c1coc2ccccc12
InChIInChI=1S/C15H10N2O2/c16-8-11-4-3-7-17(11)9-14(18)13-10-19-15-6-2-1-5-12(13)15/h1-7,10H,9H2
InChIKeyGUNLCYPVZYUJIN-UHFFFAOYSA-N
XLogP2.99
TPSA58.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-benzofuran-3-yl)-2-oxoethyl]pyrrole-2-carbonitrile?
The IUPAC name of 1-[2-(1-benzofuran-3-yl)-2-oxoethyl]pyrrole-2-carbonitrile (CID 114651480) is 1-[2-(1-benzofuran-3-yl)-2-oxoethyl]pyrrole-2-carbonitrile.
What is the SMILES notation for 1-[2-(1-benzofuran-3-yl)-2-oxoethyl]pyrrole-2-carbonitrile?
The canonical SMILES for 1-[2-(1-benzofuran-3-yl)-2-oxoethyl]pyrrole-2-carbonitrile is N#Cc1cccn1CC(=O)c1coc2ccccc12.
What is the InChIKey of 1-[2-(1-benzofuran-3-yl)-2-oxoethyl]pyrrole-2-carbonitrile?
The InChIKey is GUNLCYPVZYUJIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2O2/c16-8-11-4-3-7-17(11)9-14(18)13-10-19-15-6-2-1-5-12(13)15/h1-7,10H,9H2.
What are the key properties of 1-[2-(1-benzofuran-3-yl)-2-oxoethyl]pyrrole-2-carbonitrile?
1-[2-(1-benzofuran-3-yl)-2-oxoethyl]pyrrole-2-carbonitrile has a molecular weight of 250.26 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-benzofuran-3-yl)-2-oxoethyl]pyrrole-2-carbonitrile is sourced from PubChem (CID 114651480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).