bis(1-ethenylpyrrol-2-yl)methanone

C13H12N2O — CID 174895102

IUPACbis(1-ethenylpyrrol-2-yl)methanone
SMILESC=Cn1cccc1C(=O)c1cccn1C=C
InChIInChI=1S/C13H12N2O/c1-3-14-9-5-7-11(14)13(16)12-8-6-10-15(12)4-2/h3-10H,1-2H2
InChIKeyFMGOABDIXRKOLE-UHFFFAOYSA-N
MW212.25 g/mol
LogP2.72
Rot. Bonds4

About bis(1-ethenylpyrrol-2-yl)methanone

bis(1-ethenylpyrrol-2-yl)methanone (PubChem CID 174895102) has the molecular formula C13H12N2O and a molecular weight of 212.25 g/mol. Its IUPAC name is bis(1-ethenylpyrrol-2-yl)methanone.

Molecular Properties

Compound Namebis(1-ethenylpyrrol-2-yl)methanone
PubChem CID174895102
Molecular FormulaC13H12N2O
Molecular Weight212.25 g/mol
Exact Mass212.09
IUPAC Namebis(1-ethenylpyrrol-2-yl)methanone
SMILESC=Cn1cccc1C(=O)c1cccn1C=C
InChIInChI=1S/C13H12N2O/c1-3-14-9-5-7-11(14)13(16)12-8-6-10-15(12)4-2/h3-10H,1-2H2
InChIKeyFMGOABDIXRKOLE-UHFFFAOYSA-N
XLogP2.72
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(dimethylamino)propyl 2-(1-ethenylpyrrol-2-yl)prop-2-enoate
CID 141039462
1-(1-aminopyrrol-2-yl)prop-2-en-1-one;hydrochloride
CID 175565155
1-ethenyl-2-ethylpyrrole
CID 15939209
1-ethenyl-2-(1-methylpyrrol-2-yl)pyrrole
CID 15698587
(1-ethenyl-2-pyridinylidene)rhodium
CID 162784299
1-(1-ethenylpyrrol-2-yl)prop-2-yn-1-ol
CID 122366487
N-(1-ethenylpyrrol-2-yl)prop-2-en-1-imine
CID 174047571
bis[1-(5-methylhexa-1,2-dien-3-yl)pyrrol-2-yl]methanone
CID 175247797
1,3-bis(ethenyl)imidazol-2-one
CID 45087691
1-[2-(1-chloroethenyl)pyrrol-1-yl]ethanone
CID 170722955
ethyl 1-formylpyrrole-2-carboxylate
CID 69374156
(4-ethylphenyl)-(1-prop-2-enylpyrrol-2-yl)methanone
CID 23117004

Frequently Asked Questions

What is the IUPAC name of bis(1-ethenylpyrrol-2-yl)methanone?
The IUPAC name of bis(1-ethenylpyrrol-2-yl)methanone (CID 174895102) is bis(1-ethenylpyrrol-2-yl)methanone.
What is the SMILES notation for bis(1-ethenylpyrrol-2-yl)methanone?
The canonical SMILES for bis(1-ethenylpyrrol-2-yl)methanone is C=Cn1cccc1C(=O)c1cccn1C=C.
What is the InChIKey of bis(1-ethenylpyrrol-2-yl)methanone?
The InChIKey is FMGOABDIXRKOLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O/c1-3-14-9-5-7-11(14)13(16)12-8-6-10-15(12)4-2/h3-10H,1-2H2.
What are the key properties of bis(1-ethenylpyrrol-2-yl)methanone?
bis(1-ethenylpyrrol-2-yl)methanone has a molecular weight of 212.25 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-ethenylpyrrol-2-yl)methanone is sourced from PubChem (CID 174895102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).