(5E)-5-[(3,4-dimethyl-1H-pyrrol-2-yl)methylidene]-3,4-dimethylpyrrol-2-one

C13H16N2O — CID 11298892

IUPAC(5E)-5-[(3,4-dimethyl-1H-pyrrol-2-yl)methylidene]-3,4-dimethylpyrrol-2-one
SMILESCC1=C(C)/C(=C\c2[nH]cc(C)c2C)NC1=O
InChIInChI=1S/C13H16N2O/c1-7-6-14-11(8(7)2)5-12-9(3)10(4)13(16)15-12/h5-6,14H,1-4H3,(H,15,16)/b12-5+
InChIKeyYVITXEKAHYETRK-LFYBBSHMSA-N
MW216.28 g/mol
LogP2.44
Rot. Bonds1

About (5E)-5-[(3,4-dimethyl-1H-pyrrol-2-yl)methylidene]-3,4-dimethylpyrrol-2-one

(5E)-5-[(3,4-dimethyl-1H-pyrrol-2-yl)methylidene]-3,4-dimethylpyrrol-2-one (PubChem CID 11298892) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is (5E)-5-[(3,4-dimethyl-1H-pyrrol-2-yl)methylidene]-3,4-dimethylpyrrol-2-one.

Molecular Properties

Compound Name(5E)-5-[(3,4-dimethyl-1H-pyrrol-2-yl)methylidene]-3,4-dimethylpyrrol-2-one
PubChem CID11298892
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name(5E)-5-[(3,4-dimethyl-1H-pyrrol-2-yl)methylidene]-3,4-dimethylpyrrol-2-one
SMILESCC1=C(C)/C(=C\c2[nH]cc(C)c2C)NC1=O
InChIInChI=1S/C13H16N2O/c1-7-6-14-11(8(7)2)5-12-9(3)10(4)13(16)15-12/h5-6,14H,1-4H3,(H,15,16)/b12-5+
InChIKeyYVITXEKAHYETRK-LFYBBSHMSA-N
XLogP2.44
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

(5E)-5-[(3,4-diethyl-1H-pyrrol-2-yl)methylidene]-3,4-dimethylpyrrol-2-one
CID 10538284
(5Z)-4-ethyl-5-[(4-ethyl-3-methyl-1H-pyrrol-2-yl)methylidene]-3-methylpyrrol-2-one
CID 24766671
2-[(3,4-dimethyl-1H-pyrrol-2-yl)methylidene]-3,4-dimethylpyrrole
CID 603841
2-ethenyl-3,4-dimethyl-1H-pyrrole
CID 144990960
(2E)-2-[(3,4-dimethyl-1H-pyrrol-2-yl)methylidene]-4,4,5-trimethyl-3H-pyrrole
CID 11701314
ethyl 5-[(Z)-(3,4-dimethyl-5-oxopyrrol-2-ylidene)methyl]-3,4-dimethyl-1H-pyrrole-2-carboxylate
CID 13157977
(5E)-5-[[5-[[5-[(E)-(3,4-dimethyl-5-oxopyrrol-2-ylidene)methyl]-3,4-diethyl-1H-pyrrol-2-yl]sulfanyl]-3,4-diethyl-1H-pyrrol-2-yl]methylidene]-3,4-dimethylpyrrol-2-one
CID 10529931
acetic acid;3,4-dimethyl-1H-pyrrole-2-carbaldehyde
CID 142153263
6-[5-[(Z)-(3,4-dimethyl-5-oxopyrrol-2-ylidene)methyl]-3,4-dimethyl-1H-pyrrol-2-yl]hept-6-enoic acid
CID 10521263
methyl 3-[4-methyl-5-[(Z)-[3-methyl-4-[2-(4-methylphenyl)sulfanylethyl]-5-oxopyrrol-2-ylidene]methyl]-1H-pyrrol-3-yl]propanoate
CID 167136539
(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-ethyl-3-methylpyrrol-2-one
CID 15297627
methyl 3-[2-[[5-[(Z)-(3-ethenyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-3-(3-oxopropyl)-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-3-yl]propanoate
CID 156594133

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(3,4-dimethyl-1H-pyrrol-2-yl)methylidene]-3,4-dimethylpyrrol-2-one?
The IUPAC name of (5E)-5-[(3,4-dimethyl-1H-pyrrol-2-yl)methylidene]-3,4-dimethylpyrrol-2-one (CID 11298892) is (5E)-5-[(3,4-dimethyl-1H-pyrrol-2-yl)methylidene]-3,4-dimethylpyrrol-2-one.
What is the SMILES notation for (5E)-5-[(3,4-dimethyl-1H-pyrrol-2-yl)methylidene]-3,4-dimethylpyrrol-2-one?
The canonical SMILES for (5E)-5-[(3,4-dimethyl-1H-pyrrol-2-yl)methylidene]-3,4-dimethylpyrrol-2-one is CC1=C(C)/C(=C\c2[nH]cc(C)c2C)NC1=O.
What is the InChIKey of (5E)-5-[(3,4-dimethyl-1H-pyrrol-2-yl)methylidene]-3,4-dimethylpyrrol-2-one?
The InChIKey is YVITXEKAHYETRK-LFYBBSHMSA-N. The full InChI is InChI=1S/C13H16N2O/c1-7-6-14-11(8(7)2)5-12-9(3)10(4)13(16)15-12/h5-6,14H,1-4H3,(H,15,16)/b12-5+.
What are the key properties of (5E)-5-[(3,4-dimethyl-1H-pyrrol-2-yl)methylidene]-3,4-dimethylpyrrol-2-one?
(5E)-5-[(3,4-dimethyl-1H-pyrrol-2-yl)methylidene]-3,4-dimethylpyrrol-2-one has a molecular weight of 216.28 g/mol, XLogP of 2.44, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(3,4-dimethyl-1H-pyrrol-2-yl)methylidene]-3,4-dimethylpyrrol-2-one is sourced from PubChem (CID 11298892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).