(2E)-2-benzylidene-4-methylpyrrole

C12H11N — CID 163427119

IUPAC(2E)-2-benzylidene-4-methylpyrrole
SMILESCC1=C/C(=C\c2ccccc2)N=C1
InChIInChI=1S/C12H11N/c1-10-7-12(13-9-10)8-11-5-3-2-4-6-11/h2-9H,1H3/b12-8+
InChIKeyANLVVLPXUWBEMT-XYOKQWHBSA-N
MW169.23 g/mol
LogP3.06
Rot. Bonds1

About (2E)-2-benzylidene-4-methylpyrrole

(2E)-2-benzylidene-4-methylpyrrole (PubChem CID 163427119) has the molecular formula C12H11N and a molecular weight of 169.23 g/mol. Its IUPAC name is (2E)-2-benzylidene-4-methylpyrrole.

Molecular Properties

Compound Name(2E)-2-benzylidene-4-methylpyrrole
PubChem CID163427119
Molecular FormulaC12H11N
Molecular Weight169.23 g/mol
Exact Mass169.09
IUPAC Name(2E)-2-benzylidene-4-methylpyrrole
SMILESCC1=C/C(=C\c2ccccc2)N=C1
InChIInChI=1S/C12H11N/c1-10-7-12(13-9-10)8-11-5-3-2-4-6-11/h2-9H,1H3/b12-8+
InChIKeyANLVVLPXUWBEMT-XYOKQWHBSA-N
XLogP3.06
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3-methylcyclopenta-2,4-dien-1-ylidene)methylbenzene
CID 139888618
methane;1-methyl-4-[(E)-2-phenylethenyl]benzene
CID 144677664
3-ethyl-2,4-dimethyl-5-[(4-methylpyrrol-2-ylidene)methyl]-1H-pyrrole
CID 170990909
1-[(E)-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]methyl]-4-methylbenzene
CID 145232469
1-ethenyl-4-methylbenzene;styrene
CID 159659441
1-methyl-4-(3-phenylpropa-1,2-dienyl)benzene
CID 10262404
(3Z)-3-benzylidene-5-methylfuran-2-one
CID 121009416
3-benzylidene-1,2-benzodiazepine
CID 150602343
9-benzylidene-2,7-dimethylfluorene;ethane
CID 91037957
1-[(5E)-5-benzylidene-4-phenyl-1,3,4-thiadiazol-2-yl]ethanone
CID 11822513
(1E)-1-[(4-methylphenyl)methylidene]-3-phenylindene
CID 138968051
(4Z)-4-[(4-methylphenyl)methylidene]-2-[(E)-2-phenylethenyl]-1,3-oxazol-5-one
CID 6143864

Frequently Asked Questions

What is the IUPAC name of (2E)-2-benzylidene-4-methylpyrrole?
The IUPAC name of (2E)-2-benzylidene-4-methylpyrrole (CID 163427119) is (2E)-2-benzylidene-4-methylpyrrole.
What is the SMILES notation for (2E)-2-benzylidene-4-methylpyrrole?
The canonical SMILES for (2E)-2-benzylidene-4-methylpyrrole is CC1=C/C(=C\c2ccccc2)N=C1.
What is the InChIKey of (2E)-2-benzylidene-4-methylpyrrole?
The InChIKey is ANLVVLPXUWBEMT-XYOKQWHBSA-N. The full InChI is InChI=1S/C12H11N/c1-10-7-12(13-9-10)8-11-5-3-2-4-6-11/h2-9H,1H3/b12-8+.
What are the key properties of (2E)-2-benzylidene-4-methylpyrrole?
(2E)-2-benzylidene-4-methylpyrrole has a molecular weight of 169.23 g/mol, XLogP of 3.06, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-benzylidene-4-methylpyrrole is sourced from PubChem (CID 163427119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).