(3R)-5-but-3-enyl-1-tert-butyl-5-methylpyrrolidin-3-ol

C13H25NO — CID 175062457

IUPAC(3R)-5-but-3-enyl-1-tert-butyl-5-methylpyrrolidin-3-ol
SMILESC=CCCC1(C)C[C@@H](O)CN1C(C)(C)C
InChIInChI=1S/C13H25NO/c1-6-7-8-13(5)9-11(15)10-14(13)12(2,3)4/h6,11,15H,1,7-10H2,2-5H3/t11-,13?/m1/s1
InChIKeyCOGXOJKQNDNXFD-JTDNENJMSA-N
MW211.35 g/mol
LogP2.58
Rot. Bonds3

About (3R)-5-but-3-enyl-1-tert-butyl-5-methylpyrrolidin-3-ol

(3R)-5-but-3-enyl-1-tert-butyl-5-methylpyrrolidin-3-ol (PubChem CID 175062457) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is (3R)-5-but-3-enyl-1-tert-butyl-5-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-5-but-3-enyl-1-tert-butyl-5-methylpyrrolidin-3-ol
PubChem CID175062457
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name(3R)-5-but-3-enyl-1-tert-butyl-5-methylpyrrolidin-3-ol
SMILESC=CCCC1(C)C[C@@H](O)CN1C(C)(C)C
InChIInChI=1S/C13H25NO/c1-6-7-8-13(5)9-11(15)10-14(13)12(2,3)4/h6,11,15H,1,7-10H2,2-5H3/t11-,13?/m1/s1
InChIKeyCOGXOJKQNDNXFD-JTDNENJMSA-N
XLogP2.58
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.58
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)-5-but-3-enyl-1-tert-butyl-5-methylpyrrolidin-3-ol?
The IUPAC name of (3R)-5-but-3-enyl-1-tert-butyl-5-methylpyrrolidin-3-ol (CID 175062457) is (3R)-5-but-3-enyl-1-tert-butyl-5-methylpyrrolidin-3-ol.
What is the SMILES notation for (3R)-5-but-3-enyl-1-tert-butyl-5-methylpyrrolidin-3-ol?
The canonical SMILES for (3R)-5-but-3-enyl-1-tert-butyl-5-methylpyrrolidin-3-ol is C=CCCC1(C)C[C@@H](O)CN1C(C)(C)C.
What is the InChIKey of (3R)-5-but-3-enyl-1-tert-butyl-5-methylpyrrolidin-3-ol?
The InChIKey is COGXOJKQNDNXFD-JTDNENJMSA-N. The full InChI is InChI=1S/C13H25NO/c1-6-7-8-13(5)9-11(15)10-14(13)12(2,3)4/h6,11,15H,1,7-10H2,2-5H3/t11-,13?/m1/s1.
What are the key properties of (3R)-5-but-3-enyl-1-tert-butyl-5-methylpyrrolidin-3-ol?
(3R)-5-but-3-enyl-1-tert-butyl-5-methylpyrrolidin-3-ol has a molecular weight of 211.35 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-but-3-enyl-1-tert-butyl-5-methylpyrrolidin-3-ol is sourced from PubChem (CID 175062457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).