3-methyl-2,5-dimethylidene-1-propan-2-ylpyrrole

C10H15N — CID 139539651

IUPAC3-methyl-2,5-dimethylidene-1-propan-2-ylpyrrole
SMILESC=c1cc(C)c(=C)n1C(C)C
InChIInChI=1S/C10H15N/c1-7(2)11-9(4)6-8(3)10(11)5/h6-7H,4-5H2,1-3H3
InChIKeyWKBIOGFZBOEFJK-UHFFFAOYSA-N
MW149.24 g/mol
LogP1.20
Rot. Bonds1

About 3-methyl-2,5-dimethylidene-1-propan-2-ylpyrrole

3-methyl-2,5-dimethylidene-1-propan-2-ylpyrrole (PubChem CID 139539651) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is 3-methyl-2,5-dimethylidene-1-propan-2-ylpyrrole.

Molecular Properties

Compound Name3-methyl-2,5-dimethylidene-1-propan-2-ylpyrrole
PubChem CID139539651
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name3-methyl-2,5-dimethylidene-1-propan-2-ylpyrrole
SMILESC=c1cc(C)c(=C)n1C(C)C
InChIInChI=1S/C10H15N/c1-7(2)11-9(4)6-8(3)10(11)5/h6-7H,4-5H2,1-3H3
InChIKeyWKBIOGFZBOEFJK-UHFFFAOYSA-N
XLogP1.20
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2,5-dimethylidene-1-propan-2-ylpyrrole?
The IUPAC name of 3-methyl-2,5-dimethylidene-1-propan-2-ylpyrrole (CID 139539651) is 3-methyl-2,5-dimethylidene-1-propan-2-ylpyrrole.
What is the SMILES notation for 3-methyl-2,5-dimethylidene-1-propan-2-ylpyrrole?
The canonical SMILES for 3-methyl-2,5-dimethylidene-1-propan-2-ylpyrrole is C=c1cc(C)c(=C)n1C(C)C.
What is the InChIKey of 3-methyl-2,5-dimethylidene-1-propan-2-ylpyrrole?
The InChIKey is WKBIOGFZBOEFJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N/c1-7(2)11-9(4)6-8(3)10(11)5/h6-7H,4-5H2,1-3H3.
What are the key properties of 3-methyl-2,5-dimethylidene-1-propan-2-ylpyrrole?
3-methyl-2,5-dimethylidene-1-propan-2-ylpyrrole has a molecular weight of 149.24 g/mol, XLogP of 1.20, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2,5-dimethylidene-1-propan-2-ylpyrrole is sourced from PubChem (CID 139539651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).