[(3R)-1,5,5-trimethylpyrrolidin-3-yl]methanol

C8H17NO — CID 129462864

IUPAC[(3R)-1,5,5-trimethylpyrrolidin-3-yl]methanol
SMILESCN1C[C@H](CO)CC1(C)C
InChIInChI=1S/C8H17NO/c1-8(2)4-7(6-10)5-9(8)3/h7,10H,4-6H2,1-3H3/t7-/m1/s1
InChIKeyCHBISKAQNIJREV-SSDOTTSWSA-N
MW143.23 g/mol
LogP0.71
Rot. Bonds1

About [(3R)-1,5,5-trimethylpyrrolidin-3-yl]methanol

[(3R)-1,5,5-trimethylpyrrolidin-3-yl]methanol (PubChem CID 129462864) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is [(3R)-1,5,5-trimethylpyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R)-1,5,5-trimethylpyrrolidin-3-yl]methanol
PubChem CID129462864
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name[(3R)-1,5,5-trimethylpyrrolidin-3-yl]methanol
SMILESCN1C[C@H](CO)CC1(C)C
InChIInChI=1S/C8H17NO/c1-8(2)4-7(6-10)5-9(8)3/h7,10H,4-6H2,1-3H3/t7-/m1/s1
InChIKeyCHBISKAQNIJREV-SSDOTTSWSA-N
XLogP0.71
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(3R)-1,5,5-trimethylpyrrolidin-3-yl]methanol?
The IUPAC name of [(3R)-1,5,5-trimethylpyrrolidin-3-yl]methanol (CID 129462864) is [(3R)-1,5,5-trimethylpyrrolidin-3-yl]methanol.
What is the SMILES notation for [(3R)-1,5,5-trimethylpyrrolidin-3-yl]methanol?
The canonical SMILES for [(3R)-1,5,5-trimethylpyrrolidin-3-yl]methanol is CN1C[C@H](CO)CC1(C)C.
What is the InChIKey of [(3R)-1,5,5-trimethylpyrrolidin-3-yl]methanol?
The InChIKey is CHBISKAQNIJREV-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H17NO/c1-8(2)4-7(6-10)5-9(8)3/h7,10H,4-6H2,1-3H3/t7-/m1/s1.
What are the key properties of [(3R)-1,5,5-trimethylpyrrolidin-3-yl]methanol?
[(3R)-1,5,5-trimethylpyrrolidin-3-yl]methanol has a molecular weight of 143.23 g/mol, XLogP of 0.71, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1,5,5-trimethylpyrrolidin-3-yl]methanol is sourced from PubChem (CID 129462864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).