[(3R,5R)-1-tert-butyl-5-methylpyrrolidin-3-yl]methanol

C10H21NO — CID 160603058

IUPAC[(3R,5R)-1-tert-butyl-5-methylpyrrolidin-3-yl]methanol
SMILESC[C@@H]1C[C@@H](CO)CN1C(C)(C)C
InChIInChI=1S/C10H21NO/c1-8-5-9(7-12)6-11(8)10(2,3)4/h8-9,12H,5-7H2,1-4H3/t8-,9-/m1/s1
InChIKeyRICOGWSJIBOHJC-RKDXNWHRSA-N
MW171.28 g/mol
LogP1.49
Rot. Bonds1

About [(3R,5R)-1-tert-butyl-5-methylpyrrolidin-3-yl]methanol

[(3R,5R)-1-tert-butyl-5-methylpyrrolidin-3-yl]methanol (PubChem CID 160603058) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is [(3R,5R)-1-tert-butyl-5-methylpyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R,5R)-1-tert-butyl-5-methylpyrrolidin-3-yl]methanol
PubChem CID160603058
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name[(3R,5R)-1-tert-butyl-5-methylpyrrolidin-3-yl]methanol
SMILESC[C@@H]1C[C@@H](CO)CN1C(C)(C)C
InChIInChI=1S/C10H21NO/c1-8-5-9(7-12)6-11(8)10(2,3)4/h8-9,12H,5-7H2,1-4H3/t8-,9-/m1/s1
InChIKeyRICOGWSJIBOHJC-RKDXNWHRSA-N
XLogP1.49
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(3R,5R)-1-tert-butyl-5-methylpyrrolidin-3-yl]methanol?
The IUPAC name of [(3R,5R)-1-tert-butyl-5-methylpyrrolidin-3-yl]methanol (CID 160603058) is [(3R,5R)-1-tert-butyl-5-methylpyrrolidin-3-yl]methanol.
What is the SMILES notation for [(3R,5R)-1-tert-butyl-5-methylpyrrolidin-3-yl]methanol?
The canonical SMILES for [(3R,5R)-1-tert-butyl-5-methylpyrrolidin-3-yl]methanol is C[C@@H]1C[C@@H](CO)CN1C(C)(C)C.
What is the InChIKey of [(3R,5R)-1-tert-butyl-5-methylpyrrolidin-3-yl]methanol?
The InChIKey is RICOGWSJIBOHJC-RKDXNWHRSA-N. The full InChI is InChI=1S/C10H21NO/c1-8-5-9(7-12)6-11(8)10(2,3)4/h8-9,12H,5-7H2,1-4H3/t8-,9-/m1/s1.
What are the key properties of [(3R,5R)-1-tert-butyl-5-methylpyrrolidin-3-yl]methanol?
[(3R,5R)-1-tert-butyl-5-methylpyrrolidin-3-yl]methanol has a molecular weight of 171.28 g/mol, XLogP of 1.49, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,5R)-1-tert-butyl-5-methylpyrrolidin-3-yl]methanol is sourced from PubChem (CID 160603058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).