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

C11H21NO — CID 130367474

IUPAC(3R,4S)-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-/m0/s1
InChIKeyLQFORTBJYQUAGR-UWVGGRQHSA-N
MW183.29 g/mol
LogP1.65
Rot. Bonds2

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

(3R,4S)-1-tert-butyl-4-prop-2-enylpyrrolidin-3-ol (PubChem CID 130367474) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is (3R,4S)-1-tert-butyl-4-prop-2-enylpyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,4S)-1-tert-butyl-4-prop-2-enylpyrrolidin-3-ol
PubChem CID130367474
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name(3R,4S)-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-/m0/s1
InChIKeyLQFORTBJYQUAGR-UWVGGRQHSA-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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Related Compounds

1-Methyl-4-prop-2-enylpyrrolidin-3-ol
CID 59079721
(3R,4R)-1-tert-butyl-4-prop-2-enylpyrrolidin-3-ol
CID 130367769
(3R,4S)-1-methyl-4-prop-2-enylpyrrolidin-3-ol
CID 140584515
(3R,4S)-1-methyl-4-prop-1-en-2-ylpyrrolidin-3-ol
CID 140584520
1-Methyl-4-prop-1-en-2-ylpyrrolidin-3-ol
CID 140584526
(3R)-1-[(4R)-4,5-dimethylhex-1-en-3-yl]pyrrolidin-3-ol
CID 157238919
(3S,4S)-1-methyl-4-prop-2-enylpyrrolidin-3-ol
CID 163699802
(5R)-5-[(E)-2-hydroxyethenyl]-1-propan-2-ylpyrrolidin-3-ol
CID 167226616
(3R)-5-but-3-enyl-1-tert-butyl-5-methylpyrrolidin-3-ol
CID 175062457
Ethane;(1-methyl-2-prop-2-enylpyrrolidin-2-yl)methanol
CID 177989577
2-(Diethylamino)-2-methylhept-6-en-3-ol
CID 79053252
2-Methyl-2-pyrrolidin-1-ylhex-5-en-3-ol
CID 79055701

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-1-tert-butyl-4-prop-2-enylpyrrolidin-3-ol?
The IUPAC name of (3R,4S)-1-tert-butyl-4-prop-2-enylpyrrolidin-3-ol (CID 130367474) is (3R,4S)-1-tert-butyl-4-prop-2-enylpyrrolidin-3-ol.
What is the SMILES notation for (3R,4S)-1-tert-butyl-4-prop-2-enylpyrrolidin-3-ol?
The canonical SMILES for (3R,4S)-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,4S)-1-tert-butyl-4-prop-2-enylpyrrolidin-3-ol?
The InChIKey is LQFORTBJYQUAGR-UWVGGRQHSA-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-/m0/s1.
What are the key properties of (3R,4S)-1-tert-butyl-4-prop-2-enylpyrrolidin-3-ol?
(3R,4S)-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,4S)-1-tert-butyl-4-prop-2-enylpyrrolidin-3-ol is sourced from PubChem (CID 130367474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).