5-(1-methoxypropan-2-yl)pyrrolidin-3-ol

C8H17NO2 — CID 116503215

IUPAC5-(1-methoxypropan-2-yl)pyrrolidin-3-ol
SMILESCOCC(C)C1CC(O)CN1
InChIInChI=1S/C8H17NO2/c1-6(5-11-2)8-3-7(10)4-9-8/h6-10H,3-5H2,1-2H3
InChIKeyIUKVFYZSJXEKGH-UHFFFAOYSA-N
MW159.23 g/mol
LogP-0.01
Rot. Bonds3

About 5-(1-methoxypropan-2-yl)pyrrolidin-3-ol

5-(1-methoxypropan-2-yl)pyrrolidin-3-ol (PubChem CID 116503215) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 5-(1-methoxypropan-2-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name5-(1-methoxypropan-2-yl)pyrrolidin-3-ol
PubChem CID116503215
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name5-(1-methoxypropan-2-yl)pyrrolidin-3-ol
SMILESCOCC(C)C1CC(O)CN1
InChIInChI=1S/C8H17NO2/c1-6(5-11-2)8-3-7(10)4-9-8/h6-10H,3-5H2,1-2H3
InChIKeyIUKVFYZSJXEKGH-UHFFFAOYSA-N
XLogP-0.01
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(1-methoxypropan-2-yl)pyrrolidin-3-ol?
The IUPAC name of 5-(1-methoxypropan-2-yl)pyrrolidin-3-ol (CID 116503215) is 5-(1-methoxypropan-2-yl)pyrrolidin-3-ol.
What is the SMILES notation for 5-(1-methoxypropan-2-yl)pyrrolidin-3-ol?
The canonical SMILES for 5-(1-methoxypropan-2-yl)pyrrolidin-3-ol is COCC(C)C1CC(O)CN1.
What is the InChIKey of 5-(1-methoxypropan-2-yl)pyrrolidin-3-ol?
The InChIKey is IUKVFYZSJXEKGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-6(5-11-2)8-3-7(10)4-9-8/h6-10H,3-5H2,1-2H3.
What are the key properties of 5-(1-methoxypropan-2-yl)pyrrolidin-3-ol?
5-(1-methoxypropan-2-yl)pyrrolidin-3-ol has a molecular weight of 159.23 g/mol, XLogP of -0.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methoxypropan-2-yl)pyrrolidin-3-ol is sourced from PubChem (CID 116503215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).