3-pyrrolidin-3-ylpropane-1,2-diol

C7H15NO2 — CID 76634042

IUPAC3-pyrrolidin-3-ylpropane-1,2-diol
SMILESOCC(O)CC1CCNC1
InChIInChI=1S/C7H15NO2/c9-5-7(10)3-6-1-2-8-4-6/h6-10H,1-5H2
InChIKeyCDXHZFKIMCHFRV-UHFFFAOYSA-N
MW145.20 g/mol
LogP-0.66
Rot. Bonds3

About 3-pyrrolidin-3-ylpropane-1,2-diol

3-pyrrolidin-3-ylpropane-1,2-diol (PubChem CID 76634042) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is 3-pyrrolidin-3-ylpropane-1,2-diol.

Molecular Properties

Compound Name3-pyrrolidin-3-ylpropane-1,2-diol
PubChem CID76634042
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Name3-pyrrolidin-3-ylpropane-1,2-diol
SMILESOCC(O)CC1CCNC1
InChIInChI=1S/C7H15NO2/c9-5-7(10)3-6-1-2-8-4-6/h6-10H,1-5H2
InChIKeyCDXHZFKIMCHFRV-UHFFFAOYSA-N
XLogP-0.66
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 5-0.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-pyrrolidin-3-ylpropane-1,2-diol?
The IUPAC name of 3-pyrrolidin-3-ylpropane-1,2-diol (CID 76634042) is 3-pyrrolidin-3-ylpropane-1,2-diol.
What is the SMILES notation for 3-pyrrolidin-3-ylpropane-1,2-diol?
The canonical SMILES for 3-pyrrolidin-3-ylpropane-1,2-diol is OCC(O)CC1CCNC1.
What is the InChIKey of 3-pyrrolidin-3-ylpropane-1,2-diol?
The InChIKey is CDXHZFKIMCHFRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2/c9-5-7(10)3-6-1-2-8-4-6/h6-10H,1-5H2.
What are the key properties of 3-pyrrolidin-3-ylpropane-1,2-diol?
3-pyrrolidin-3-ylpropane-1,2-diol has a molecular weight of 145.20 g/mol, XLogP of -0.66, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrrolidin-3-ylpropane-1,2-diol is sourced from PubChem (CID 76634042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).