1-(3,3-dimethylbut-1-en-2-yl)pyrrolidine

C10H19N — CID 15569629

IUPAC1-(3,3-dimethylbut-1-en-2-yl)pyrrolidine
SMILESC=C(N1CCCC1)C(C)(C)C
InChIInChI=1S/C10H19N/c1-9(10(2,3)4)11-7-5-6-8-11/h1,5-8H2,2-4H3
InChIKeyBGXFFOOCTZIKTK-UHFFFAOYSA-N
MW153.27 g/mol
LogP2.64
Rot. Bonds1

About 1-(3,3-dimethylbut-1-en-2-yl)pyrrolidine

1-(3,3-dimethylbut-1-en-2-yl)pyrrolidine (PubChem CID 15569629) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is 1-(3,3-dimethylbut-1-en-2-yl)pyrrolidine.

Molecular Properties

Compound Name1-(3,3-dimethylbut-1-en-2-yl)pyrrolidine
PubChem CID15569629
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name1-(3,3-dimethylbut-1-en-2-yl)pyrrolidine
SMILESC=C(N1CCCC1)C(C)(C)C
InChIInChI=1S/C10H19N/c1-9(10(2,3)4)11-7-5-6-8-11/h1,5-8H2,2-4H3
InChIKeyBGXFFOOCTZIKTK-UHFFFAOYSA-N
XLogP2.64
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylbut-1-en-2-yl)pyrrolidine?
The IUPAC name of 1-(3,3-dimethylbut-1-en-2-yl)pyrrolidine (CID 15569629) is 1-(3,3-dimethylbut-1-en-2-yl)pyrrolidine.
What is the SMILES notation for 1-(3,3-dimethylbut-1-en-2-yl)pyrrolidine?
The canonical SMILES for 1-(3,3-dimethylbut-1-en-2-yl)pyrrolidine is C=C(N1CCCC1)C(C)(C)C.
What is the InChIKey of 1-(3,3-dimethylbut-1-en-2-yl)pyrrolidine?
The InChIKey is BGXFFOOCTZIKTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N/c1-9(10(2,3)4)11-7-5-6-8-11/h1,5-8H2,2-4H3.
What are the key properties of 1-(3,3-dimethylbut-1-en-2-yl)pyrrolidine?
1-(3,3-dimethylbut-1-en-2-yl)pyrrolidine has a molecular weight of 153.27 g/mol, XLogP of 2.64, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylbut-1-en-2-yl)pyrrolidine is sourced from PubChem (CID 15569629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).