1,3,4-trimethyl-2-methylidene-4-propan-2-ylpyrrolidine

C11H21N — CID 21336443

IUPAC1,3,4-trimethyl-2-methylidene-4-propan-2-ylpyrrolidine
SMILESC=C1C(C)C(C)(C(C)C)CN1C
InChIInChI=1S/C11H21N/c1-8(2)11(5)7-12(6)10(4)9(11)3/h8-9H,4,7H2,1-3,5-6H3
InChIKeySWWKZAYLGYJCIL-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.74
Rot. Bonds1

About 1,3,4-trimethyl-2-methylidene-4-propan-2-ylpyrrolidine

1,3,4-trimethyl-2-methylidene-4-propan-2-ylpyrrolidine (PubChem CID 21336443) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 1,3,4-trimethyl-2-methylidene-4-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name1,3,4-trimethyl-2-methylidene-4-propan-2-ylpyrrolidine
PubChem CID21336443
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name1,3,4-trimethyl-2-methylidene-4-propan-2-ylpyrrolidine
SMILESC=C1C(C)C(C)(C(C)C)CN1C
InChIInChI=1S/C11H21N/c1-8(2)11(5)7-12(6)10(4)9(11)3/h8-9H,4,7H2,1-3,5-6H3
InChIKeySWWKZAYLGYJCIL-UHFFFAOYSA-N
XLogP2.74
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3,4-trimethyl-2-methylidene-4-propan-2-ylpyrrolidine?
The IUPAC name of 1,3,4-trimethyl-2-methylidene-4-propan-2-ylpyrrolidine (CID 21336443) is 1,3,4-trimethyl-2-methylidene-4-propan-2-ylpyrrolidine.
What is the SMILES notation for 1,3,4-trimethyl-2-methylidene-4-propan-2-ylpyrrolidine?
The canonical SMILES for 1,3,4-trimethyl-2-methylidene-4-propan-2-ylpyrrolidine is C=C1C(C)C(C)(C(C)C)CN1C.
What is the InChIKey of 1,3,4-trimethyl-2-methylidene-4-propan-2-ylpyrrolidine?
The InChIKey is SWWKZAYLGYJCIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-8(2)11(5)7-12(6)10(4)9(11)3/h8-9H,4,7H2,1-3,5-6H3.
What are the key properties of 1,3,4-trimethyl-2-methylidene-4-propan-2-ylpyrrolidine?
1,3,4-trimethyl-2-methylidene-4-propan-2-ylpyrrolidine has a molecular weight of 167.30 g/mol, XLogP of 2.74, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4-trimethyl-2-methylidene-4-propan-2-ylpyrrolidine is sourced from PubChem (CID 21336443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).