3-fluoro-4-methyl-1-(4-methylpenta-1,2-dien-3-yl)pyrrolidine

C11H18FN — CID 177054134

IUPAC3-fluoro-4-methyl-1-(4-methylpenta-1,2-dien-3-yl)pyrrolidine
SMILESC=C=C(C(C)C)N1CC(C)C(F)C1
InChIInChI=1S/C11H18FN/c1-5-11(8(2)3)13-6-9(4)10(12)7-13/h8-10H,1,6-7H2,2-4H3
InChIKeyCIDYQBCTGUXCJM-UHFFFAOYSA-N
MW183.27 g/mol
LogP2.60
Rot. Bonds2

About 3-fluoro-4-methyl-1-(4-methylpenta-1,2-dien-3-yl)pyrrolidine

3-fluoro-4-methyl-1-(4-methylpenta-1,2-dien-3-yl)pyrrolidine (PubChem CID 177054134) has the molecular formula C11H18FN and a molecular weight of 183.27 g/mol. Its IUPAC name is 3-fluoro-4-methyl-1-(4-methylpenta-1,2-dien-3-yl)pyrrolidine.

Molecular Properties

Compound Name3-fluoro-4-methyl-1-(4-methylpenta-1,2-dien-3-yl)pyrrolidine
PubChem CID177054134
Molecular FormulaC11H18FN
Molecular Weight183.27 g/mol
Exact Mass183.14
IUPAC Name3-fluoro-4-methyl-1-(4-methylpenta-1,2-dien-3-yl)pyrrolidine
SMILESC=C=C(C(C)C)N1CC(C)C(F)C1
InChIInChI=1S/C11H18FN/c1-5-11(8(2)3)13-6-9(4)10(12)7-13/h8-10H,1,6-7H2,2-4H3
InChIKeyCIDYQBCTGUXCJM-UHFFFAOYSA-N
XLogP2.60
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.27
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-fluoro-4-methyl-1-(4-methylpenta-1,2-dien-3-yl)pyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methyl-1-(4-methylpenta-1,2-dien-3-yl)pyrrolidine?
The IUPAC name of 3-fluoro-4-methyl-1-(4-methylpenta-1,2-dien-3-yl)pyrrolidine (CID 177054134) is 3-fluoro-4-methyl-1-(4-methylpenta-1,2-dien-3-yl)pyrrolidine.
What is the SMILES notation for 3-fluoro-4-methyl-1-(4-methylpenta-1,2-dien-3-yl)pyrrolidine?
The canonical SMILES for 3-fluoro-4-methyl-1-(4-methylpenta-1,2-dien-3-yl)pyrrolidine is C=C=C(C(C)C)N1CC(C)C(F)C1.
What is the InChIKey of 3-fluoro-4-methyl-1-(4-methylpenta-1,2-dien-3-yl)pyrrolidine?
The InChIKey is CIDYQBCTGUXCJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FN/c1-5-11(8(2)3)13-6-9(4)10(12)7-13/h8-10H,1,6-7H2,2-4H3.
What are the key properties of 3-fluoro-4-methyl-1-(4-methylpenta-1,2-dien-3-yl)pyrrolidine?
3-fluoro-4-methyl-1-(4-methylpenta-1,2-dien-3-yl)pyrrolidine has a molecular weight of 183.27 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methyl-1-(4-methylpenta-1,2-dien-3-yl)pyrrolidine is sourced from PubChem (CID 177054134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).