3-propan-2-ylpyrrolidin-3-ol;hydrochloride

C7H16ClNO — CID 57497866

IUPAC3-propan-2-ylpyrrolidin-3-ol;hydrochloride
SMILESCC(C)C1(O)CCNC1.Cl
InChIInChI=1S/C7H15NO.ClH/c1-6(2)7(9)3-4-8-5-7;/h6,8-9H,3-5H2,1-2H3;1H
InChIKeyHAPXYANUOBGERV-UHFFFAOYSA-N
MW165.66 g/mol
LogP0.79
Rot. Bonds1

About 3-propan-2-ylpyrrolidin-3-ol;hydrochloride

3-propan-2-ylpyrrolidin-3-ol;hydrochloride (PubChem CID 57497866) has the molecular formula C7H16ClNO and a molecular weight of 165.66 g/mol. Its IUPAC name is 3-propan-2-ylpyrrolidin-3-ol;hydrochloride.

Molecular Properties

Compound Name3-propan-2-ylpyrrolidin-3-ol;hydrochloride
PubChem CID57497866
Molecular FormulaC7H16ClNO
Molecular Weight165.66 g/mol
Exact Mass165.09
IUPAC Name3-propan-2-ylpyrrolidin-3-ol;hydrochloride
SMILESCC(C)C1(O)CCNC1.Cl
InChIInChI=1S/C7H15NO.ClH/c1-6(2)7(9)3-4-8-5-7;/h6,8-9H,3-5H2,1-2H3;1H
InChIKeyHAPXYANUOBGERV-UHFFFAOYSA-N
XLogP0.79
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.66
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-ylpyrrolidin-3-ol;hydrochloride?
The IUPAC name of 3-propan-2-ylpyrrolidin-3-ol;hydrochloride (CID 57497866) is 3-propan-2-ylpyrrolidin-3-ol;hydrochloride.
What is the SMILES notation for 3-propan-2-ylpyrrolidin-3-ol;hydrochloride?
The canonical SMILES for 3-propan-2-ylpyrrolidin-3-ol;hydrochloride is CC(C)C1(O)CCNC1.Cl.
What is the InChIKey of 3-propan-2-ylpyrrolidin-3-ol;hydrochloride?
The InChIKey is HAPXYANUOBGERV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO.ClH/c1-6(2)7(9)3-4-8-5-7;/h6,8-9H,3-5H2,1-2H3;1H.
What are the key properties of 3-propan-2-ylpyrrolidin-3-ol;hydrochloride?
3-propan-2-ylpyrrolidin-3-ol;hydrochloride has a molecular weight of 165.66 g/mol, XLogP of 0.79, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-ylpyrrolidin-3-ol;hydrochloride is sourced from PubChem (CID 57497866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).