4-(1-ethylcyclobutyl)-1-methyl-2-prop-1-en-2-yl-4-propylpyrrolidine

C17H31N — CID 90926693

IUPAC4-(1-ethylcyclobutyl)-1-methyl-2-prop-1-en-2-yl-4-propylpyrrolidine
SMILESC=C(C)C1CC(CCC)(C2(CC)CCC2)CN1C
InChIInChI=1S/C17H31N/c1-6-9-17(16(7-2)10-8-11-16)12-15(14(3)4)18(5)13-17/h15H,3,6-13H2,1-2,4-5H3
InChIKeyLGGQLOUHTWSZLL-UHFFFAOYSA-N
MW249.44 g/mol
LogP4.63
Rot. Bonds5

About 4-(1-ethylcyclobutyl)-1-methyl-2-prop-1-en-2-yl-4-propylpyrrolidine

4-(1-ethylcyclobutyl)-1-methyl-2-prop-1-en-2-yl-4-propylpyrrolidine (PubChem CID 90926693) has the molecular formula C17H31N and a molecular weight of 249.44 g/mol. Its IUPAC name is 4-(1-ethylcyclobutyl)-1-methyl-2-prop-1-en-2-yl-4-propylpyrrolidine.

Molecular Properties

Compound Name4-(1-ethylcyclobutyl)-1-methyl-2-prop-1-en-2-yl-4-propylpyrrolidine
PubChem CID90926693
Molecular FormulaC17H31N
Molecular Weight249.44 g/mol
Exact Mass249.25
IUPAC Name4-(1-ethylcyclobutyl)-1-methyl-2-prop-1-en-2-yl-4-propylpyrrolidine
SMILESC=C(C)C1CC(CCC)(C2(CC)CCC2)CN1C
InChIInChI=1S/C17H31N/c1-6-9-17(16(7-2)10-8-11-16)12-15(14(3)4)18(5)13-17/h15H,3,6-13H2,1-2,4-5H3
InChIKeyLGGQLOUHTWSZLL-UHFFFAOYSA-N
XLogP4.63
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.44
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(1-ethylcyclobutyl)-1-methyl-2-prop-1-en-2-yl-4-propylpyrrolidine?
The IUPAC name of 4-(1-ethylcyclobutyl)-1-methyl-2-prop-1-en-2-yl-4-propylpyrrolidine (CID 90926693) is 4-(1-ethylcyclobutyl)-1-methyl-2-prop-1-en-2-yl-4-propylpyrrolidine.
What is the SMILES notation for 4-(1-ethylcyclobutyl)-1-methyl-2-prop-1-en-2-yl-4-propylpyrrolidine?
The canonical SMILES for 4-(1-ethylcyclobutyl)-1-methyl-2-prop-1-en-2-yl-4-propylpyrrolidine is C=C(C)C1CC(CCC)(C2(CC)CCC2)CN1C.
What is the InChIKey of 4-(1-ethylcyclobutyl)-1-methyl-2-prop-1-en-2-yl-4-propylpyrrolidine?
The InChIKey is LGGQLOUHTWSZLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N/c1-6-9-17(16(7-2)10-8-11-16)12-15(14(3)4)18(5)13-17/h15H,3,6-13H2,1-2,4-5H3.
What are the key properties of 4-(1-ethylcyclobutyl)-1-methyl-2-prop-1-en-2-yl-4-propylpyrrolidine?
4-(1-ethylcyclobutyl)-1-methyl-2-prop-1-en-2-yl-4-propylpyrrolidine has a molecular weight of 249.44 g/mol, XLogP of 4.63, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethylcyclobutyl)-1-methyl-2-prop-1-en-2-yl-4-propylpyrrolidine is sourced from PubChem (CID 90926693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).