3-ethenyl-1,4-dimethyl-2,5-dimethylidenepyrrole

C10H13N — CID 130351512

IUPAC3-ethenyl-1,4-dimethyl-2,5-dimethylidenepyrrole
SMILESC=Cc1c(C)c(=C)n(C)c1=C
InChIInChI=1S/C10H13N/c1-6-10-7(2)8(3)11(5)9(10)4/h6H,1,3-4H2,2,5H3
InChIKeyQTMNLHBVUPPMMH-UHFFFAOYSA-N
MW147.22 g/mol
LogP0.80
Rot. Bonds1

About 3-ethenyl-1,4-dimethyl-2,5-dimethylidenepyrrole

3-ethenyl-1,4-dimethyl-2,5-dimethylidenepyrrole (PubChem CID 130351512) has the molecular formula C10H13N and a molecular weight of 147.22 g/mol. Its IUPAC name is 3-ethenyl-1,4-dimethyl-2,5-dimethylidenepyrrole.

Molecular Properties

Compound Name3-ethenyl-1,4-dimethyl-2,5-dimethylidenepyrrole
PubChem CID130351512
Molecular FormulaC10H13N
Molecular Weight147.22 g/mol
Exact Mass147.10
IUPAC Name3-ethenyl-1,4-dimethyl-2,5-dimethylidenepyrrole
SMILESC=Cc1c(C)c(=C)n(C)c1=C
InChIInChI=1S/C10H13N/c1-6-10-7(2)8(3)11(5)9(10)4/h6H,1,3-4H2,2,5H3
InChIKeyQTMNLHBVUPPMMH-UHFFFAOYSA-N
XLogP0.80
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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3-ethenyl-2,4,5,6-tetramethylpyridine
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2-ethenyl-1,3,4-trimethyl-5-propa-1,2-dienylpyrrole
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1-[(E)-1-[4-ethenyl-1,2-dimethyl-5-[(Z)-prop-1-enyl]pyrrol-3-yl]prop-1-en-2-yl]-3-methyl-2,4,5-tris[(Z)-prop-1-enyl]pyrrole
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Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-1,4-dimethyl-2,5-dimethylidenepyrrole?
The IUPAC name of 3-ethenyl-1,4-dimethyl-2,5-dimethylidenepyrrole (CID 130351512) is 3-ethenyl-1,4-dimethyl-2,5-dimethylidenepyrrole.
What is the SMILES notation for 3-ethenyl-1,4-dimethyl-2,5-dimethylidenepyrrole?
The canonical SMILES for 3-ethenyl-1,4-dimethyl-2,5-dimethylidenepyrrole is C=Cc1c(C)c(=C)n(C)c1=C.
What is the InChIKey of 3-ethenyl-1,4-dimethyl-2,5-dimethylidenepyrrole?
The InChIKey is QTMNLHBVUPPMMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N/c1-6-10-7(2)8(3)11(5)9(10)4/h6H,1,3-4H2,2,5H3.
What are the key properties of 3-ethenyl-1,4-dimethyl-2,5-dimethylidenepyrrole?
3-ethenyl-1,4-dimethyl-2,5-dimethylidenepyrrole has a molecular weight of 147.22 g/mol, XLogP of 0.80, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-1,4-dimethyl-2,5-dimethylidenepyrrole is sourced from PubChem (CID 130351512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).