1,3,3-trimethylpyrrolidin-2-ol

C7H15NO — CID 147080628

IUPAC1,3,3-trimethylpyrrolidin-2-ol
SMILESCN1CCC(C)(C)C1O
InChIInChI=1S/C7H15NO/c1-7(2)4-5-8(3)6(7)9/h6,9H,4-5H2,1-3H3
InChIKeyBGVMLDAMFGZUTK-UHFFFAOYSA-N
MW129.20 g/mol
LogP0.67
Rot. Bonds

About 1,3,3-trimethylpyrrolidin-2-ol

1,3,3-trimethylpyrrolidin-2-ol (PubChem CID 147080628) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is 1,3,3-trimethylpyrrolidin-2-ol.

Molecular Properties

Compound Name1,3,3-trimethylpyrrolidin-2-ol
PubChem CID147080628
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name1,3,3-trimethylpyrrolidin-2-ol
SMILESCN1CCC(C)(C)C1O
InChIInChI=1S/C7H15NO/c1-7(2)4-5-8(3)6(7)9/h6,9H,4-5H2,1-3H3
InChIKeyBGVMLDAMFGZUTK-UHFFFAOYSA-N
XLogP0.67
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3,3-trimethylpyrrolidin-2-ol?
The IUPAC name of 1,3,3-trimethylpyrrolidin-2-ol (CID 147080628) is 1,3,3-trimethylpyrrolidin-2-ol.
What is the SMILES notation for 1,3,3-trimethylpyrrolidin-2-ol?
The canonical SMILES for 1,3,3-trimethylpyrrolidin-2-ol is CN1CCC(C)(C)C1O.
What is the InChIKey of 1,3,3-trimethylpyrrolidin-2-ol?
The InChIKey is BGVMLDAMFGZUTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-7(2)4-5-8(3)6(7)9/h6,9H,4-5H2,1-3H3.
What are the key properties of 1,3,3-trimethylpyrrolidin-2-ol?
1,3,3-trimethylpyrrolidin-2-ol has a molecular weight of 129.20 g/mol, XLogP of 0.67, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3-trimethylpyrrolidin-2-ol is sourced from PubChem (CID 147080628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).