bis(2-methylpyrrol-2-yl)methanone

C11H12N2O — CID 174421537

IUPACbis(2-methylpyrrol-2-yl)methanone
SMILESCC1(C(=O)C2(C)C=CC=N2)C=CC=N1
InChIInChI=1S/C11H12N2O/c1-10(5-3-7-12-10)9(14)11(2)6-4-8-13-11/h3-8H,1-2H3
InChIKeyOBGMYELPMMQPSV-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.35
Rot. Bonds2

About bis(2-methylpyrrol-2-yl)methanone

bis(2-methylpyrrol-2-yl)methanone (PubChem CID 174421537) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is bis(2-methylpyrrol-2-yl)methanone.

Molecular Properties

Compound Namebis(2-methylpyrrol-2-yl)methanone
PubChem CID174421537
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Namebis(2-methylpyrrol-2-yl)methanone
SMILESCC1(C(=O)C2(C)C=CC=N2)C=CC=N1
InChIInChI=1S/C11H12N2O/c1-10(5-3-7-12-10)9(14)11(2)6-4-8-13-11/h3-8H,1-2H3
InChIKeyOBGMYELPMMQPSV-UHFFFAOYSA-N
XLogP1.35
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of bis(2-methylpyrrol-2-yl)methanone?
The IUPAC name of bis(2-methylpyrrol-2-yl)methanone (CID 174421537) is bis(2-methylpyrrol-2-yl)methanone.
What is the SMILES notation for bis(2-methylpyrrol-2-yl)methanone?
The canonical SMILES for bis(2-methylpyrrol-2-yl)methanone is CC1(C(=O)C2(C)C=CC=N2)C=CC=N1.
What is the InChIKey of bis(2-methylpyrrol-2-yl)methanone?
The InChIKey is OBGMYELPMMQPSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-10(5-3-7-12-10)9(14)11(2)6-4-8-13-11/h3-8H,1-2H3.
What are the key properties of bis(2-methylpyrrol-2-yl)methanone?
bis(2-methylpyrrol-2-yl)methanone has a molecular weight of 188.23 g/mol, XLogP of 1.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methylpyrrol-2-yl)methanone is sourced from PubChem (CID 174421537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).