3-(hydroxymethyl)-1-propan-2-ylpyrrolidin-3-ol

C8H17NO2 — CID 82713423

IUPAC3-(hydroxymethyl)-1-propan-2-ylpyrrolidin-3-ol
SMILESCC(C)N1CCC(O)(CO)C1
InChIInChI=1S/C8H17NO2/c1-7(2)9-4-3-8(11,5-9)6-10/h7,10-11H,3-6H2,1-2H3
InChIKeyVPSIDQBALDNCAX-UHFFFAOYSA-N
MW159.23 g/mol
LogP-0.18
Rot. Bonds2

About 3-(hydroxymethyl)-1-propan-2-ylpyrrolidin-3-ol

3-(hydroxymethyl)-1-propan-2-ylpyrrolidin-3-ol (PubChem CID 82713423) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 3-(hydroxymethyl)-1-propan-2-ylpyrrolidin-3-ol.

Molecular Properties

Compound Name3-(hydroxymethyl)-1-propan-2-ylpyrrolidin-3-ol
PubChem CID82713423
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name3-(hydroxymethyl)-1-propan-2-ylpyrrolidin-3-ol
SMILESCC(C)N1CCC(O)(CO)C1
InChIInChI=1S/C8H17NO2/c1-7(2)9-4-3-8(11,5-9)6-10/h7,10-11H,3-6H2,1-2H3
InChIKeyVPSIDQBALDNCAX-UHFFFAOYSA-N
XLogP-0.18
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-aminoethyl)-1-propan-2-ylpyrrolidin-3-ol
CID 82503311
(3-methyl-1-propan-2-ylpyrrolidin-3-yl)methanol
CID 83914161
[3-(chloromethyl)-1-propan-2-ylpyrrolidin-3-yl]methanol
CID 167340283
3-ethyl-1-propan-2-ylpiperidin-3-ol
CID 121277357
2-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)acetic acid
CID 62395408
(4-hydroxy-1-propan-2-ylpiperidin-4-yl)methyl hypoiodite
CID 155039158
1,3-di(propan-2-yl)pyrrolidin-3-ol
CID 171831461
1-propan-2-yl-4-(propan-2-yloxymethyl)piperidin-4-ol
CID 79567229
4-(methylaminomethyl)-1-propan-2-ylpiperidin-4-ol
CID 39237893
2-(3-hydroxy-1-propan-2-ylpiperidin-3-yl)acetonitrile
CID 131609024
4-nonyl-1-propan-2-ylpiperidin-4-ol
CID 65146910
4-(2-cyclopropylethyl)-1-propan-2-ylpiperidin-4-ol
CID 106590391

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-1-propan-2-ylpyrrolidin-3-ol?
The IUPAC name of 3-(hydroxymethyl)-1-propan-2-ylpyrrolidin-3-ol (CID 82713423) is 3-(hydroxymethyl)-1-propan-2-ylpyrrolidin-3-ol.
What is the SMILES notation for 3-(hydroxymethyl)-1-propan-2-ylpyrrolidin-3-ol?
The canonical SMILES for 3-(hydroxymethyl)-1-propan-2-ylpyrrolidin-3-ol is CC(C)N1CCC(O)(CO)C1.
What is the InChIKey of 3-(hydroxymethyl)-1-propan-2-ylpyrrolidin-3-ol?
The InChIKey is VPSIDQBALDNCAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-7(2)9-4-3-8(11,5-9)6-10/h7,10-11H,3-6H2,1-2H3.
What are the key properties of 3-(hydroxymethyl)-1-propan-2-ylpyrrolidin-3-ol?
3-(hydroxymethyl)-1-propan-2-ylpyrrolidin-3-ol has a molecular weight of 159.23 g/mol, XLogP of -0.18, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-1-propan-2-ylpyrrolidin-3-ol is sourced from PubChem (CID 82713423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).