(3S)-5-tert-butyl-1-propan-2-ylpyrrolidin-3-ol

C11H23NO — CID 67953218

IUPAC(3S)-5-tert-butyl-1-propan-2-ylpyrrolidin-3-ol
SMILESCC(C)N1C[C@@H](O)CC1C(C)(C)C
InChIInChI=1S/C11H23NO/c1-8(2)12-7-9(13)6-10(12)11(3,4)5/h8-10,13H,6-7H2,1-5H3/t9-,10?/m0/s1
InChIKeyVAUBGUHPDYRKFV-RGURZIINSA-N
MW185.31 g/mol
LogP1.88
Rot. Bonds1

About (3S)-5-tert-butyl-1-propan-2-ylpyrrolidin-3-ol

(3S)-5-tert-butyl-1-propan-2-ylpyrrolidin-3-ol (PubChem CID 67953218) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is (3S)-5-tert-butyl-1-propan-2-ylpyrrolidin-3-ol.

Molecular Properties

Compound Name(3S)-5-tert-butyl-1-propan-2-ylpyrrolidin-3-ol
PubChem CID67953218
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name(3S)-5-tert-butyl-1-propan-2-ylpyrrolidin-3-ol
SMILESCC(C)N1C[C@@H](O)CC1C(C)(C)C
InChIInChI=1S/C11H23NO/c1-8(2)12-7-9(13)6-10(12)11(3,4)5/h8-10,13H,6-7H2,1-5H3/t9-,10?/m0/s1
InChIKeyVAUBGUHPDYRKFV-RGURZIINSA-N
XLogP1.88
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-5-tert-butyl-1-propan-2-ylpyrrolidin-3-ol?
The IUPAC name of (3S)-5-tert-butyl-1-propan-2-ylpyrrolidin-3-ol (CID 67953218) is (3S)-5-tert-butyl-1-propan-2-ylpyrrolidin-3-ol.
What is the SMILES notation for (3S)-5-tert-butyl-1-propan-2-ylpyrrolidin-3-ol?
The canonical SMILES for (3S)-5-tert-butyl-1-propan-2-ylpyrrolidin-3-ol is CC(C)N1C[C@@H](O)CC1C(C)(C)C.
What is the InChIKey of (3S)-5-tert-butyl-1-propan-2-ylpyrrolidin-3-ol?
The InChIKey is VAUBGUHPDYRKFV-RGURZIINSA-N. The full InChI is InChI=1S/C11H23NO/c1-8(2)12-7-9(13)6-10(12)11(3,4)5/h8-10,13H,6-7H2,1-5H3/t9-,10?/m0/s1.
What are the key properties of (3S)-5-tert-butyl-1-propan-2-ylpyrrolidin-3-ol?
(3S)-5-tert-butyl-1-propan-2-ylpyrrolidin-3-ol has a molecular weight of 185.31 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5-tert-butyl-1-propan-2-ylpyrrolidin-3-ol is sourced from PubChem (CID 67953218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).