3,4-dimethyl-5-methylidene-1,2-dihydropyrrole

C7H11N — CID 143599482

IUPAC3,4-dimethyl-5-methylidene-1,2-dihydropyrrole
SMILESC=C1NCC(C)=C1C
InChIInChI=1S/C7H11N/c1-5-4-8-7(3)6(5)2/h8H,3-4H2,1-2H3
InChIKeyYWIHONJYHWHIAL-UHFFFAOYSA-N
MW109.17 g/mol
LogP1.44
Rot. Bonds

About 3,4-dimethyl-5-methylidene-1,2-dihydropyrrole

3,4-dimethyl-5-methylidene-1,2-dihydropyrrole (PubChem CID 143599482) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is 3,4-dimethyl-5-methylidene-1,2-dihydropyrrole.

Molecular Properties

Compound Name3,4-dimethyl-5-methylidene-1,2-dihydropyrrole
PubChem CID143599482
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC Name3,4-dimethyl-5-methylidene-1,2-dihydropyrrole
SMILESC=C1NCC(C)=C1C
InChIInChI=1S/C7H11N/c1-5-4-8-7(3)6(5)2/h8H,3-4H2,1-2H3
InChIKeyYWIHONJYHWHIAL-UHFFFAOYSA-N
XLogP1.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.17
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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3-methyl-4-methylsulfanyl-2,5-dihydro-1H-pyridin-6-one
CID 20605812
6-methylidene-2-propan-2-yl-4,5-dihydropyrrolo[3,4-d][1,3]thiazole
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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-5-methylidene-1,2-dihydropyrrole?
The IUPAC name of 3,4-dimethyl-5-methylidene-1,2-dihydropyrrole (CID 143599482) is 3,4-dimethyl-5-methylidene-1,2-dihydropyrrole.
What is the SMILES notation for 3,4-dimethyl-5-methylidene-1,2-dihydropyrrole?
The canonical SMILES for 3,4-dimethyl-5-methylidene-1,2-dihydropyrrole is C=C1NCC(C)=C1C.
What is the InChIKey of 3,4-dimethyl-5-methylidene-1,2-dihydropyrrole?
The InChIKey is YWIHONJYHWHIAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N/c1-5-4-8-7(3)6(5)2/h8H,3-4H2,1-2H3.
What are the key properties of 3,4-dimethyl-5-methylidene-1,2-dihydropyrrole?
3,4-dimethyl-5-methylidene-1,2-dihydropyrrole has a molecular weight of 109.17 g/mol, XLogP of 1.44, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-5-methylidene-1,2-dihydropyrrole is sourced from PubChem (CID 143599482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).