1-pyrrolidin-3-ylpyrrolidin-3-ol;dihydrochloride

C8H18Cl2N2O — CID 53407970

IUPAC1-pyrrolidin-3-ylpyrrolidin-3-ol;dihydrochloride
SMILESCl.Cl.OC1CCN(C2CCNC2)C1
InChIInChI=1S/C8H16N2O.2ClH/c11-8-2-4-10(6-8)7-1-3-9-5-7;;/h7-9,11H,1-6H2;2*1H
InChIKeyNMXZOJHWTLVCKP-UHFFFAOYSA-N
MW229.15 g/mol
LogP0.26
Rot. Bonds1

About 1-pyrrolidin-3-ylpyrrolidin-3-ol;dihydrochloride

1-pyrrolidin-3-ylpyrrolidin-3-ol;dihydrochloride (PubChem CID 53407970) has the molecular formula C8H18Cl2N2O and a molecular weight of 229.15 g/mol. Its IUPAC name is 1-pyrrolidin-3-ylpyrrolidin-3-ol;dihydrochloride.

Molecular Properties

Compound Name1-pyrrolidin-3-ylpyrrolidin-3-ol;dihydrochloride
PubChem CID53407970
Molecular FormulaC8H18Cl2N2O
Molecular Weight229.15 g/mol
Exact Mass228.08
IUPAC Name1-pyrrolidin-3-ylpyrrolidin-3-ol;dihydrochloride
SMILESCl.Cl.OC1CCN(C2CCNC2)C1
InChIInChI=1S/C8H16N2O.2ClH/c11-8-2-4-10(6-8)7-1-3-9-5-7;;/h7-9,11H,1-6H2;2*1H
InChIKeyNMXZOJHWTLVCKP-UHFFFAOYSA-N
XLogP0.26
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.15
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-pyrrolidin-3-ylpyrrolidin-3-ol;dihydrochloride?
The IUPAC name of 1-pyrrolidin-3-ylpyrrolidin-3-ol;dihydrochloride (CID 53407970) is 1-pyrrolidin-3-ylpyrrolidin-3-ol;dihydrochloride.
What is the SMILES notation for 1-pyrrolidin-3-ylpyrrolidin-3-ol;dihydrochloride?
The canonical SMILES for 1-pyrrolidin-3-ylpyrrolidin-3-ol;dihydrochloride is Cl.Cl.OC1CCN(C2CCNC2)C1.
What is the InChIKey of 1-pyrrolidin-3-ylpyrrolidin-3-ol;dihydrochloride?
The InChIKey is NMXZOJHWTLVCKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O.2ClH/c11-8-2-4-10(6-8)7-1-3-9-5-7;;/h7-9,11H,1-6H2;2*1H.
What are the key properties of 1-pyrrolidin-3-ylpyrrolidin-3-ol;dihydrochloride?
1-pyrrolidin-3-ylpyrrolidin-3-ol;dihydrochloride has a molecular weight of 229.15 g/mol, XLogP of 0.26, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrolidin-3-ylpyrrolidin-3-ol;dihydrochloride is sourced from PubChem (CID 53407970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).