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

C15H12N2O — CID 24987018

IUPAC1-methyl-5-(1-oxo-2,3-dihydroinden-5-yl)pyrrole-2-carbonitrile
SMILESCn1c(C#N)ccc1-c1ccc2c(c1)CCC2=O
InChIInChI=1S/C15H12N2O/c1-17-12(9-16)4-6-14(17)11-2-5-13-10(8-11)3-7-15(13)18/h2,4-6,8H,3,7H2,1H3
InChIKeyXVSODNPIAYLLLF-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.69
Rot. Bonds1

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

1-methyl-5-(1-oxo-2,3-dihydroinden-5-yl)pyrrole-2-carbonitrile (PubChem CID 24987018) has the molecular formula C15H12N2O and a molecular weight of 236.27 g/mol. Its IUPAC name is 1-methyl-5-(1-oxo-2,3-dihydroinden-5-yl)pyrrole-2-carbonitrile.

Molecular Properties

Compound Name1-methyl-5-(1-oxo-2,3-dihydroinden-5-yl)pyrrole-2-carbonitrile
PubChem CID24987018
Molecular FormulaC15H12N2O
Molecular Weight236.27 g/mol
Exact Mass236.09
IUPAC Name1-methyl-5-(1-oxo-2,3-dihydroinden-5-yl)pyrrole-2-carbonitrile
SMILESCn1c(C#N)ccc1-c1ccc2c(c1)CCC2=O
InChIInChI=1S/C15H12N2O/c1-17-12(9-16)4-6-14(17)11-2-5-13-10(8-11)3-7-15(13)18/h2,4-6,8H,3,7H2,1H3
InChIKeyXVSODNPIAYLLLF-UHFFFAOYSA-N
XLogP2.69
TPSA45.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,5-dimethyl-4-[(E)-3-(4-methylphenyl)-3-oxoprop-1-enyl]pyrrole-2-carbonitrile
CID 5975065
(2E)-2-[(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)methylene]indan-1-one
CID 12005106
5-(3,3-dimethyl-1-oxo-2,3-dihydro-1H-inden-5-yl)-1-methyl-1H-pyrrole-2-carbonitrile
CID 16004661
1-Methyl-5-(5-oxo-5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrrole-2-carbonitrile
CID 16225747
5-(4-acetylphenyl)-1-methyl-1H-pyrrole-2-carbonitrile
CID 24987026
1-Methyl-5-(4-propionylphenyl)-1H-pyrrole-2-carbonitrile
CID 24987374
5-(4-benzoylphenyl)-1-methyl-1H-pyrrole-2-carbonitrile
CID 24987376
1-methyl-5-(4-pivaloylphenyl)-1H-pyrrole-2-carbonitrile
CID 24987377
5-[(1E)-1-(hydroxyimino)-2,3-dihydro-1H-inden-5-yl]-1-methyl-1H-pyrrole-2-carbonitrile
CID 45483829
2-[(1-Ethyl-2,5-dimethyl-3-pyrrolyl)methylidene]indene-1,3-dione
CID 848081
2-[(2,5-Dimethyl-1-phenylpyrrol-3-yl)methylidene]indene-1,3-dione
CID 878060
6-Methyl-2-[2-(4-methylphenyl)-2-oxoethyl]-1-propyl-3,4-dihydropyrrolo[1,2-a]pyrazin-2-ium
CID 1635460

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(1-oxo-2,3-dihydroinden-5-yl)pyrrole-2-carbonitrile?
The IUPAC name of 1-methyl-5-(1-oxo-2,3-dihydroinden-5-yl)pyrrole-2-carbonitrile (CID 24987018) is 1-methyl-5-(1-oxo-2,3-dihydroinden-5-yl)pyrrole-2-carbonitrile.
What is the SMILES notation for 1-methyl-5-(1-oxo-2,3-dihydroinden-5-yl)pyrrole-2-carbonitrile?
The canonical SMILES for 1-methyl-5-(1-oxo-2,3-dihydroinden-5-yl)pyrrole-2-carbonitrile is Cn1c(C#N)ccc1-c1ccc2c(c1)CCC2=O.
What is the InChIKey of 1-methyl-5-(1-oxo-2,3-dihydroinden-5-yl)pyrrole-2-carbonitrile?
The InChIKey is XVSODNPIAYLLLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O/c1-17-12(9-16)4-6-14(17)11-2-5-13-10(8-11)3-7-15(13)18/h2,4-6,8H,3,7H2,1H3.
What are the key properties of 1-methyl-5-(1-oxo-2,3-dihydroinden-5-yl)pyrrole-2-carbonitrile?
1-methyl-5-(1-oxo-2,3-dihydroinden-5-yl)pyrrole-2-carbonitrile has a molecular weight of 236.27 g/mol, XLogP of 2.69, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(1-oxo-2,3-dihydroinden-5-yl)pyrrole-2-carbonitrile is sourced from PubChem (CID 24987018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).