1-(3-methyl-2-propan-2-ylbut-1-enyl)pyrrolidine

C12H23N — CID 134854102

IUPAC1-(3-methyl-2-propan-2-ylbut-1-enyl)pyrrolidine
SMILESCC(C)C(=CN1CCCC1)C(C)C
InChIInChI=1S/C12H23N/c1-10(2)12(11(3)4)9-13-7-5-6-8-13/h9-11H,5-8H2,1-4H3
InChIKeyUUXJEIYVQZRLBK-UHFFFAOYSA-N
MW181.32 g/mol
LogP3.28
Rot. Bonds3

About 1-(3-methyl-2-propan-2-ylbut-1-enyl)pyrrolidine

1-(3-methyl-2-propan-2-ylbut-1-enyl)pyrrolidine (PubChem CID 134854102) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 1-(3-methyl-2-propan-2-ylbut-1-enyl)pyrrolidine.

Molecular Properties

Compound Name1-(3-methyl-2-propan-2-ylbut-1-enyl)pyrrolidine
PubChem CID134854102
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name1-(3-methyl-2-propan-2-ylbut-1-enyl)pyrrolidine
SMILESCC(C)C(=CN1CCCC1)C(C)C
InChIInChI=1S/C12H23N/c1-10(2)12(11(3)4)9-13-7-5-6-8-13/h9-11H,5-8H2,1-4H3
InChIKeyUUXJEIYVQZRLBK-UHFFFAOYSA-N
XLogP3.28
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-2-propan-2-ylbut-1-enyl)pyrrolidine?
The IUPAC name of 1-(3-methyl-2-propan-2-ylbut-1-enyl)pyrrolidine (CID 134854102) is 1-(3-methyl-2-propan-2-ylbut-1-enyl)pyrrolidine.
What is the SMILES notation for 1-(3-methyl-2-propan-2-ylbut-1-enyl)pyrrolidine?
The canonical SMILES for 1-(3-methyl-2-propan-2-ylbut-1-enyl)pyrrolidine is CC(C)C(=CN1CCCC1)C(C)C.
What is the InChIKey of 1-(3-methyl-2-propan-2-ylbut-1-enyl)pyrrolidine?
The InChIKey is UUXJEIYVQZRLBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-10(2)12(11(3)4)9-13-7-5-6-8-13/h9-11H,5-8H2,1-4H3.
What are the key properties of 1-(3-methyl-2-propan-2-ylbut-1-enyl)pyrrolidine?
1-(3-methyl-2-propan-2-ylbut-1-enyl)pyrrolidine has a molecular weight of 181.32 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-2-propan-2-ylbut-1-enyl)pyrrolidine is sourced from PubChem (CID 134854102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).