[(5S)-1-ethyl-5-propan-2-ylpyrrolidin-2-yl]methanol

C10H21NO — CID 129252865

IUPAC[(5S)-1-ethyl-5-propan-2-ylpyrrolidin-2-yl]methanol
SMILESCCN1C(CO)CC[C@H]1C(C)C
InChIInChI=1S/C10H21NO/c1-4-11-9(7-12)5-6-10(11)8(2)3/h8-10,12H,4-7H2,1-3H3/t9?,10-/m0/s1
InChIKeyRLIBEWAMYJJGPL-AXDSSHIGSA-N
MW171.28 g/mol
LogP1.49
Rot. Bonds3

About [(5S)-1-ethyl-5-propan-2-ylpyrrolidin-2-yl]methanol

[(5S)-1-ethyl-5-propan-2-ylpyrrolidin-2-yl]methanol (PubChem CID 129252865) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is [(5S)-1-ethyl-5-propan-2-ylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(5S)-1-ethyl-5-propan-2-ylpyrrolidin-2-yl]methanol
PubChem CID129252865
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name[(5S)-1-ethyl-5-propan-2-ylpyrrolidin-2-yl]methanol
SMILESCCN1C(CO)CC[C@H]1C(C)C
InChIInChI=1S/C10H21NO/c1-4-11-9(7-12)5-6-10(11)8(2)3/h8-10,12H,4-7H2,1-3H3/t9?,10-/m0/s1
InChIKeyRLIBEWAMYJJGPL-AXDSSHIGSA-N
XLogP1.49
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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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Related Compounds

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CID 10582877
CID 10582877
CID 10607223
CID 10607223
CID 54218768
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CID 85287680
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CID 129782081
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CID 163431767
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CID 10654464
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CID 12271556
CID 12271556

Frequently Asked Questions

What is the IUPAC name of [(5S)-1-ethyl-5-propan-2-ylpyrrolidin-2-yl]methanol?
The IUPAC name of [(5S)-1-ethyl-5-propan-2-ylpyrrolidin-2-yl]methanol (CID 129252865) is [(5S)-1-ethyl-5-propan-2-ylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [(5S)-1-ethyl-5-propan-2-ylpyrrolidin-2-yl]methanol?
The canonical SMILES for [(5S)-1-ethyl-5-propan-2-ylpyrrolidin-2-yl]methanol is CCN1C(CO)CC[C@H]1C(C)C.
What is the InChIKey of [(5S)-1-ethyl-5-propan-2-ylpyrrolidin-2-yl]methanol?
The InChIKey is RLIBEWAMYJJGPL-AXDSSHIGSA-N. The full InChI is InChI=1S/C10H21NO/c1-4-11-9(7-12)5-6-10(11)8(2)3/h8-10,12H,4-7H2,1-3H3/t9?,10-/m0/s1.
What are the key properties of [(5S)-1-ethyl-5-propan-2-ylpyrrolidin-2-yl]methanol?
[(5S)-1-ethyl-5-propan-2-ylpyrrolidin-2-yl]methanol has a molecular weight of 171.28 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(5S)-1-ethyl-5-propan-2-ylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 129252865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).