1-methyl-5-(2-oxo-1,3-dihydroindol-5-yl)pyrrole-2-carbonitrile

C14H11N3O — CID 11608377

IUPAC1-methyl-5-(2-oxo-1,3-dihydroindol-5-yl)pyrrole-2-carbonitrile
SMILESCn1c(C#N)ccc1-c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C14H11N3O/c1-17-11(8-15)3-5-13(17)9-2-4-12-10(6-9)7-14(18)16-12/h2-6H,7H2,1H3,(H,16,18)
InChIKeyGZFFRQWEGGGTLG-UHFFFAOYSA-N
MW237.26 g/mol
LogP2.06
Rot. Bonds1

About 1-methyl-5-(2-oxo-1,3-dihydroindol-5-yl)pyrrole-2-carbonitrile

1-methyl-5-(2-oxo-1,3-dihydroindol-5-yl)pyrrole-2-carbonitrile (PubChem CID 11608377) has the molecular formula C14H11N3O and a molecular weight of 237.26 g/mol. Its IUPAC name is 1-methyl-5-(2-oxo-1,3-dihydroindol-5-yl)pyrrole-2-carbonitrile.

Molecular Properties

Compound Name1-methyl-5-(2-oxo-1,3-dihydroindol-5-yl)pyrrole-2-carbonitrile
PubChem CID11608377
Molecular FormulaC14H11N3O
Molecular Weight237.26 g/mol
Exact Mass237.09
IUPAC Name1-methyl-5-(2-oxo-1,3-dihydroindol-5-yl)pyrrole-2-carbonitrile
SMILESCn1c(C#N)ccc1-c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C14H11N3O/c1-17-11(8-15)3-5-13(17)9-2-4-12-10(6-9)7-14(18)16-12/h2-6H,7H2,1H3,(H,16,18)
InChIKeyGZFFRQWEGGGTLG-UHFFFAOYSA-N
XLogP2.06
TPSA57.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(2-oxo-1,3-dihydroindol-5-yl)pyrrole-2-carbonitrile?
The IUPAC name of 1-methyl-5-(2-oxo-1,3-dihydroindol-5-yl)pyrrole-2-carbonitrile (CID 11608377) is 1-methyl-5-(2-oxo-1,3-dihydroindol-5-yl)pyrrole-2-carbonitrile.
What is the SMILES notation for 1-methyl-5-(2-oxo-1,3-dihydroindol-5-yl)pyrrole-2-carbonitrile?
The canonical SMILES for 1-methyl-5-(2-oxo-1,3-dihydroindol-5-yl)pyrrole-2-carbonitrile is Cn1c(C#N)ccc1-c1ccc2c(c1)CC(=O)N2.
What is the InChIKey of 1-methyl-5-(2-oxo-1,3-dihydroindol-5-yl)pyrrole-2-carbonitrile?
The InChIKey is GZFFRQWEGGGTLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O/c1-17-11(8-15)3-5-13(17)9-2-4-12-10(6-9)7-14(18)16-12/h2-6H,7H2,1H3,(H,16,18).
What are the key properties of 1-methyl-5-(2-oxo-1,3-dihydroindol-5-yl)pyrrole-2-carbonitrile?
1-methyl-5-(2-oxo-1,3-dihydroindol-5-yl)pyrrole-2-carbonitrile has a molecular weight of 237.26 g/mol, XLogP of 2.06, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(2-oxo-1,3-dihydroindol-5-yl)pyrrole-2-carbonitrile is sourced from PubChem (CID 11608377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).