(3R,4R)-1-tert-butyl-4-prop-2-enylpyrrolidin-3-ol

C11H21NO — CID 130367769

IUPAC(3R,4R)-1-tert-butyl-4-prop-2-enylpyrrolidin-3-ol
SMILESC=CC[C@@H]1CN(C(C)(C)C)C[C@@H]1O
InChIInChI=1S/C11H21NO/c1-5-6-9-7-12(8-10(9)13)11(2,3)4/h5,9-10,13H,1,6-8H2,2-4H3/t9-,10+/m1/s1
InChIKeyLQFORTBJYQUAGR-ZJUUUORDSA-N
MW183.29 g/mol
LogP1.65
Rot. Bonds2

About (3R,4R)-1-tert-butyl-4-prop-2-enylpyrrolidin-3-ol

(3R,4R)-1-tert-butyl-4-prop-2-enylpyrrolidin-3-ol (PubChem CID 130367769) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is (3R,4R)-1-tert-butyl-4-prop-2-enylpyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-1-tert-butyl-4-prop-2-enylpyrrolidin-3-ol
PubChem CID130367769
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name(3R,4R)-1-tert-butyl-4-prop-2-enylpyrrolidin-3-ol
SMILESC=CC[C@@H]1CN(C(C)(C)C)C[C@@H]1O
InChIInChI=1S/C11H21NO/c1-5-6-9-7-12(8-10(9)13)11(2,3)4/h5,9-10,13H,1,6-8H2,2-4H3/t9-,10+/m1/s1
InChIKeyLQFORTBJYQUAGR-ZJUUUORDSA-N
XLogP1.65
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (3R,4R)-1-tert-butyl-4-prop-2-enylpyrrolidin-3-ol?
The IUPAC name of (3R,4R)-1-tert-butyl-4-prop-2-enylpyrrolidin-3-ol (CID 130367769) is (3R,4R)-1-tert-butyl-4-prop-2-enylpyrrolidin-3-ol.
What is the SMILES notation for (3R,4R)-1-tert-butyl-4-prop-2-enylpyrrolidin-3-ol?
The canonical SMILES for (3R,4R)-1-tert-butyl-4-prop-2-enylpyrrolidin-3-ol is C=CC[C@@H]1CN(C(C)(C)C)C[C@@H]1O.
What is the InChIKey of (3R,4R)-1-tert-butyl-4-prop-2-enylpyrrolidin-3-ol?
The InChIKey is LQFORTBJYQUAGR-ZJUUUORDSA-N. The full InChI is InChI=1S/C11H21NO/c1-5-6-9-7-12(8-10(9)13)11(2,3)4/h5,9-10,13H,1,6-8H2,2-4H3/t9-,10+/m1/s1.
What are the key properties of (3R,4R)-1-tert-butyl-4-prop-2-enylpyrrolidin-3-ol?
(3R,4R)-1-tert-butyl-4-prop-2-enylpyrrolidin-3-ol has a molecular weight of 183.29 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-tert-butyl-4-prop-2-enylpyrrolidin-3-ol is sourced from PubChem (CID 130367769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).