3-tert-butylpyrrolidin-3-ol;hydrochloride

C8H18ClNO — CID 66662240

IUPAC3-tert-butylpyrrolidin-3-ol;hydrochloride
SMILESCC(C)(C)C1(O)CCNC1.Cl
InChIInChI=1S/C8H17NO.ClH/c1-7(2,3)8(10)4-5-9-6-8;/h9-10H,4-6H2,1-3H3;1H
InChIKeyLMLJAIKJADGZGW-UHFFFAOYSA-N
MW179.69 g/mol
LogP1.18
Rot. Bonds

About 3-tert-butylpyrrolidin-3-ol;hydrochloride

3-tert-butylpyrrolidin-3-ol;hydrochloride (PubChem CID 66662240) has the molecular formula C8H18ClNO and a molecular weight of 179.69 g/mol. Its IUPAC name is 3-tert-butylpyrrolidin-3-ol;hydrochloride.

Molecular Properties

Compound Name3-tert-butylpyrrolidin-3-ol;hydrochloride
PubChem CID66662240
Molecular FormulaC8H18ClNO
Molecular Weight179.69 g/mol
Exact Mass179.11
IUPAC Name3-tert-butylpyrrolidin-3-ol;hydrochloride
SMILESCC(C)(C)C1(O)CCNC1.Cl
InChIInChI=1S/C8H17NO.ClH/c1-7(2,3)8(10)4-5-9-6-8;/h9-10H,4-6H2,1-3H3;1H
InChIKeyLMLJAIKJADGZGW-UHFFFAOYSA-N
XLogP1.18
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.69
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butylpyrrolidin-3-ol;hydrochloride?
The IUPAC name of 3-tert-butylpyrrolidin-3-ol;hydrochloride (CID 66662240) is 3-tert-butylpyrrolidin-3-ol;hydrochloride.
What is the SMILES notation for 3-tert-butylpyrrolidin-3-ol;hydrochloride?
The canonical SMILES for 3-tert-butylpyrrolidin-3-ol;hydrochloride is CC(C)(C)C1(O)CCNC1.Cl.
What is the InChIKey of 3-tert-butylpyrrolidin-3-ol;hydrochloride?
The InChIKey is LMLJAIKJADGZGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO.ClH/c1-7(2,3)8(10)4-5-9-6-8;/h9-10H,4-6H2,1-3H3;1H.
What are the key properties of 3-tert-butylpyrrolidin-3-ol;hydrochloride?
3-tert-butylpyrrolidin-3-ol;hydrochloride has a molecular weight of 179.69 g/mol, XLogP of 1.18, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butylpyrrolidin-3-ol;hydrochloride is sourced from PubChem (CID 66662240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).