3-(3-propan-2-ylpyrrolidin-1-yl)propane-1,2-diol

C10H21NO2 — CID 115773094

IUPAC3-(3-propan-2-ylpyrrolidin-1-yl)propane-1,2-diol
SMILESCC(C)C1CCN(CC(O)CO)C1
InChIInChI=1S/C10H21NO2/c1-8(2)9-3-4-11(5-9)6-10(13)7-12/h8-10,12-13H,3-7H2,1-2H3
InChIKeyAVPNQYYVZBBZTD-UHFFFAOYSA-N
MW187.28 g/mol
LogP0.32
Rot. Bonds4

About 3-(3-propan-2-ylpyrrolidin-1-yl)propane-1,2-diol

3-(3-propan-2-ylpyrrolidin-1-yl)propane-1,2-diol (PubChem CID 115773094) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 3-(3-propan-2-ylpyrrolidin-1-yl)propane-1,2-diol.

Molecular Properties

Compound Name3-(3-propan-2-ylpyrrolidin-1-yl)propane-1,2-diol
PubChem CID115773094
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name3-(3-propan-2-ylpyrrolidin-1-yl)propane-1,2-diol
SMILESCC(C)C1CCN(CC(O)CO)C1
InChIInChI=1S/C10H21NO2/c1-8(2)9-3-4-11(5-9)6-10(13)7-12/h8-10,12-13H,3-7H2,1-2H3
InChIKeyAVPNQYYVZBBZTD-UHFFFAOYSA-N
XLogP0.32
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopentyl-3-(3-propan-2-ylpyrrolidin-1-yl)propan-2-ol
CID 103160187
1-ethoxy-3-(3-propan-2-ylpyrrolidin-1-yl)propan-2-ol
CID 115688731
3-(3-methylpyrrolidin-1-yl)propane-1,2-diol
CID 23396961
3-[(3R)-3-hydroxypyrrolidin-1-yl]propane-1,2-diol
CID 103857755
3-(3-ethyl-4-hydroxypiperidin-1-yl)propane-1,2-diol
CID 114511014
3-(3-aminopyrrolidin-1-yl)propane-1,2-diol
CID 115492032
1-amino-3-(4-propan-2-ylpiperidin-1-yl)propan-2-ol
CID 103494900
3-[(3R)-3-aminopyrrolidin-1-yl]propane-1,2-diol
CID 82850969
3-[3-(methoxymethyl)pyrrolidin-1-yl]propane-1,2-diol
CID 115773044
1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-methoxypropan-2-ol
CID 112627641
3-methyl-1-(4-propan-2-ylpiperidin-1-yl)pentan-2-ol
CID 103501727
1-(2,3-dihydroxypropyl)pyrrolidine-3-carboxylic acid
CID 57486049

Frequently Asked Questions

What is the IUPAC name of 3-(3-propan-2-ylpyrrolidin-1-yl)propane-1,2-diol?
The IUPAC name of 3-(3-propan-2-ylpyrrolidin-1-yl)propane-1,2-diol (CID 115773094) is 3-(3-propan-2-ylpyrrolidin-1-yl)propane-1,2-diol.
What is the SMILES notation for 3-(3-propan-2-ylpyrrolidin-1-yl)propane-1,2-diol?
The canonical SMILES for 3-(3-propan-2-ylpyrrolidin-1-yl)propane-1,2-diol is CC(C)C1CCN(CC(O)CO)C1.
What is the InChIKey of 3-(3-propan-2-ylpyrrolidin-1-yl)propane-1,2-diol?
The InChIKey is AVPNQYYVZBBZTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-8(2)9-3-4-11(5-9)6-10(13)7-12/h8-10,12-13H,3-7H2,1-2H3.
What are the key properties of 3-(3-propan-2-ylpyrrolidin-1-yl)propane-1,2-diol?
3-(3-propan-2-ylpyrrolidin-1-yl)propane-1,2-diol has a molecular weight of 187.28 g/mol, XLogP of 0.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-propan-2-ylpyrrolidin-1-yl)propane-1,2-diol is sourced from PubChem (CID 115773094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).