5-methyl-2-(4-methyl-3-methylidenepent-1-en-2-yl)-3H-pyrrole

C12H17N — CID 163568524

IUPAC5-methyl-2-(4-methyl-3-methylidenepent-1-en-2-yl)-3H-pyrrole
SMILESC=C(C(=C)C(C)C)C1=NC(C)=CC1
InChIInChI=1S/C12H17N/c1-8(2)10(4)11(5)12-7-6-9(3)13-12/h6,8H,4-5,7H2,1-3H3
InChIKeyFXFSGQKJYRRHTJ-UHFFFAOYSA-N
MW175.27 g/mol
LogP3.50
Rot. Bonds3

About 5-methyl-2-(4-methyl-3-methylidenepent-1-en-2-yl)-3H-pyrrole

5-methyl-2-(4-methyl-3-methylidenepent-1-en-2-yl)-3H-pyrrole (PubChem CID 163568524) has the molecular formula C12H17N and a molecular weight of 175.27 g/mol. Its IUPAC name is 5-methyl-2-(4-methyl-3-methylidenepent-1-en-2-yl)-3H-pyrrole.

Molecular Properties

Compound Name5-methyl-2-(4-methyl-3-methylidenepent-1-en-2-yl)-3H-pyrrole
PubChem CID163568524
Molecular FormulaC12H17N
Molecular Weight175.27 g/mol
Exact Mass175.14
IUPAC Name5-methyl-2-(4-methyl-3-methylidenepent-1-en-2-yl)-3H-pyrrole
SMILESC=C(C(=C)C(C)C)C1=NC(C)=CC1
InChIInChI=1S/C12H17N/c1-8(2)10(4)11(5)12-7-6-9(3)13-12/h6,8H,4-5,7H2,1-3H3
InChIKeyFXFSGQKJYRRHTJ-UHFFFAOYSA-N
XLogP3.50
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(4-methyl-3-methylidenepent-1-en-2-yl)-3H-pyrrole?
The IUPAC name of 5-methyl-2-(4-methyl-3-methylidenepent-1-en-2-yl)-3H-pyrrole (CID 163568524) is 5-methyl-2-(4-methyl-3-methylidenepent-1-en-2-yl)-3H-pyrrole.
What is the SMILES notation for 5-methyl-2-(4-methyl-3-methylidenepent-1-en-2-yl)-3H-pyrrole?
The canonical SMILES for 5-methyl-2-(4-methyl-3-methylidenepent-1-en-2-yl)-3H-pyrrole is C=C(C(=C)C(C)C)C1=NC(C)=CC1.
What is the InChIKey of 5-methyl-2-(4-methyl-3-methylidenepent-1-en-2-yl)-3H-pyrrole?
The InChIKey is FXFSGQKJYRRHTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N/c1-8(2)10(4)11(5)12-7-6-9(3)13-12/h6,8H,4-5,7H2,1-3H3.
What are the key properties of 5-methyl-2-(4-methyl-3-methylidenepent-1-en-2-yl)-3H-pyrrole?
5-methyl-2-(4-methyl-3-methylidenepent-1-en-2-yl)-3H-pyrrole has a molecular weight of 175.27 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(4-methyl-3-methylidenepent-1-en-2-yl)-3H-pyrrole is sourced from PubChem (CID 163568524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).