2-[(3,4-dimethyl-1H-pyrrol-2-yl)methylidene]-3,4-dimethylpyrrole

C13H16N2 — CID 603841

IUPAC2-[(3,4-dimethyl-1H-pyrrol-2-yl)methylidene]-3,4-dimethylpyrrole
SMILESCC1=C(C)C(=Cc2[nH]cc(C)c2C)N=C1
InChIInChI=1S/C13H16N2/c1-8-6-14-12(10(8)3)5-13-11(4)9(2)7-15-13/h5-7,14H,1-4H3
InChIKeyPNMMFDNNDUJODJ-UHFFFAOYSA-N
MW200.28 g/mol
LogP3.39
Rot. Bonds1

About 2-[(3,4-dimethyl-1H-pyrrol-2-yl)methylidene]-3,4-dimethylpyrrole

2-[(3,4-dimethyl-1H-pyrrol-2-yl)methylidene]-3,4-dimethylpyrrole (PubChem CID 603841) has the molecular formula C13H16N2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 2-[(3,4-dimethyl-1H-pyrrol-2-yl)methylidene]-3,4-dimethylpyrrole.

Molecular Properties

Compound Name2-[(3,4-dimethyl-1H-pyrrol-2-yl)methylidene]-3,4-dimethylpyrrole
PubChem CID603841
Molecular FormulaC13H16N2
Molecular Weight200.28 g/mol
Exact Mass200.13
IUPAC Name2-[(3,4-dimethyl-1H-pyrrol-2-yl)methylidene]-3,4-dimethylpyrrole
SMILESCC1=C(C)C(=Cc2[nH]cc(C)c2C)N=C1
InChIInChI=1S/C13H16N2/c1-8-6-14-12(10(8)3)5-13-11(4)9(2)7-15-13/h5-7,14H,1-4H3
InChIKeyPNMMFDNNDUJODJ-UHFFFAOYSA-N
XLogP3.39
TPSA28.15 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(Z)-(3,4-dimethylpyrrol-2-ylidene)methyl]-3,4,5-trimethyl-1H-pyrrole;hydrobromide
CID 131665765
(5E)-5-[(3,4-dimethyl-1H-pyrrol-2-yl)methylidene]-3,4-dimethylpyrrol-2-one
CID 11298892
(2E)-2-[(3,4-dimethyl-1H-pyrrol-2-yl)methylidene]-4,4,5-trimethyl-3H-pyrrole
CID 11701314
2-ethenyl-3,4-dimethyl-1H-pyrrole
CID 144990960
2-[(Z)-(3,4-dimethylpyrrol-2-ylidene)methyl]-5-ethoxy-3,4-diethyl-1H-pyrrole
CID 25199407
2-[3-chloro-1-[5-[(E)-(3,4-dimethylpyrrol-2-ylidene)methyl]-3-ethyl-4-methyl-1H-pyrrol-2-yl]propyl]-5-[(Z)-(3,4-dimethylpyrrol-2-ylidene)methyl]-3-ethyl-4-methyl-1H-pyrrole
CID 177439177
acetic acid;3,4-dimethyl-1H-pyrrole-2-carbaldehyde
CID 142153263
(3,4-dimethyl-1H-pyrrol-2-yl)-trimethylsilane
CID 139716381
(2Z)-2-[(3-ethyl-4-methyl-1H-pyrrol-2-yl)methylidene]-4-[2-[(5E)-5-[(3-ethyl-4-methyl-1H-pyrrol-2-yl)methylidene]-2,4-dimethylpyrrol-3-yl]ethyl]-3,5-dimethylpyrrole
CID 177388577
3-fluoro-4,5-dimethyl-1H-pyridin-2-one
CID 151411047
(2Z)-2-[(3-ethyl-4-methyl-1H-pyrrol-2-yl)methylidene]-4-[5-[(5E)-5-[(3-ethyl-4-methyl-1H-pyrrol-2-yl)methylidene]-2,4-dimethylpyrrol-3-yl]pentyl]-3,5-dimethylpyrrole
CID 177453173
ethane;2,3,4-trimethyl-1H-pyrrole
CID 54386000

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dimethyl-1H-pyrrol-2-yl)methylidene]-3,4-dimethylpyrrole?
The IUPAC name of 2-[(3,4-dimethyl-1H-pyrrol-2-yl)methylidene]-3,4-dimethylpyrrole (CID 603841) is 2-[(3,4-dimethyl-1H-pyrrol-2-yl)methylidene]-3,4-dimethylpyrrole.
What is the SMILES notation for 2-[(3,4-dimethyl-1H-pyrrol-2-yl)methylidene]-3,4-dimethylpyrrole?
The canonical SMILES for 2-[(3,4-dimethyl-1H-pyrrol-2-yl)methylidene]-3,4-dimethylpyrrole is CC1=C(C)C(=Cc2[nH]cc(C)c2C)N=C1.
What is the InChIKey of 2-[(3,4-dimethyl-1H-pyrrol-2-yl)methylidene]-3,4-dimethylpyrrole?
The InChIKey is PNMMFDNNDUJODJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2/c1-8-6-14-12(10(8)3)5-13-11(4)9(2)7-15-13/h5-7,14H,1-4H3.
What are the key properties of 2-[(3,4-dimethyl-1H-pyrrol-2-yl)methylidene]-3,4-dimethylpyrrole?
2-[(3,4-dimethyl-1H-pyrrol-2-yl)methylidene]-3,4-dimethylpyrrole has a molecular weight of 200.28 g/mol, XLogP of 3.39, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dimethyl-1H-pyrrol-2-yl)methylidene]-3,4-dimethylpyrrole is sourced from PubChem (CID 603841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).