(4S)-4-propan-2-yloxypyrrolidin-3-ol

C7H15NO2 — CID 67293813

IUPAC(4S)-4-propan-2-yloxypyrrolidin-3-ol
SMILESCC(C)O[C@H]1CNCC1O
InChIInChI=1S/C7H15NO2/c1-5(2)10-7-4-8-3-6(7)9/h5-9H,3-4H2,1-2H3/t6?,7-/m0/s1
InChIKeyCMFYPRVQVHPARR-MLWJPKLSSA-N
MW145.20 g/mol
LogP-0.26
Rot. Bonds2

About (4S)-4-propan-2-yloxypyrrolidin-3-ol

(4S)-4-propan-2-yloxypyrrolidin-3-ol (PubChem CID 67293813) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is (4S)-4-propan-2-yloxypyrrolidin-3-ol.

Molecular Properties

Compound Name(4S)-4-propan-2-yloxypyrrolidin-3-ol
PubChem CID67293813
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Name(4S)-4-propan-2-yloxypyrrolidin-3-ol
SMILESCC(C)O[C@H]1CNCC1O
InChIInChI=1S/C7H15NO2/c1-5(2)10-7-4-8-3-6(7)9/h5-9H,3-4H2,1-2H3/t6?,7-/m0/s1
InChIKeyCMFYPRVQVHPARR-MLWJPKLSSA-N
XLogP-0.26
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-propan-2-yloxypyrrolidin-3-ol?
The IUPAC name of (4S)-4-propan-2-yloxypyrrolidin-3-ol (CID 67293813) is (4S)-4-propan-2-yloxypyrrolidin-3-ol.
What is the SMILES notation for (4S)-4-propan-2-yloxypyrrolidin-3-ol?
The canonical SMILES for (4S)-4-propan-2-yloxypyrrolidin-3-ol is CC(C)O[C@H]1CNCC1O.
What is the InChIKey of (4S)-4-propan-2-yloxypyrrolidin-3-ol?
The InChIKey is CMFYPRVQVHPARR-MLWJPKLSSA-N. The full InChI is InChI=1S/C7H15NO2/c1-5(2)10-7-4-8-3-6(7)9/h5-9H,3-4H2,1-2H3/t6?,7-/m0/s1.
What are the key properties of (4S)-4-propan-2-yloxypyrrolidin-3-ol?
(4S)-4-propan-2-yloxypyrrolidin-3-ol has a molecular weight of 145.20 g/mol, XLogP of -0.26, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-propan-2-yloxypyrrolidin-3-ol is sourced from PubChem (CID 67293813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).