4,5-dimethylpyrrolidin-2-ol

C6H13NO — CID 163490256

IUPAC4,5-dimethylpyrrolidin-2-ol
SMILESCC1CC(O)NC1C
InChIInChI=1S/C6H13NO/c1-4-3-6(8)7-5(4)2/h4-8H,3H2,1-2H3
InChIKeyCLZNFRMLVXGOOL-UHFFFAOYSA-N
MW115.18 g/mol
LogP0.32
Rot. Bonds

About 4,5-dimethylpyrrolidin-2-ol

4,5-dimethylpyrrolidin-2-ol (PubChem CID 163490256) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is 4,5-dimethylpyrrolidin-2-ol.

Molecular Properties

Compound Name4,5-dimethylpyrrolidin-2-ol
PubChem CID163490256
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name4,5-dimethylpyrrolidin-2-ol
SMILESCC1CC(O)NC1C
InChIInChI=1S/C6H13NO/c1-4-3-6(8)7-5(4)2/h4-8H,3H2,1-2H3
InChIKeyCLZNFRMLVXGOOL-UHFFFAOYSA-N
XLogP0.32
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethylpyrrolidin-2-ol?
The IUPAC name of 4,5-dimethylpyrrolidin-2-ol (CID 163490256) is 4,5-dimethylpyrrolidin-2-ol.
What is the SMILES notation for 4,5-dimethylpyrrolidin-2-ol?
The canonical SMILES for 4,5-dimethylpyrrolidin-2-ol is CC1CC(O)NC1C.
What is the InChIKey of 4,5-dimethylpyrrolidin-2-ol?
The InChIKey is CLZNFRMLVXGOOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO/c1-4-3-6(8)7-5(4)2/h4-8H,3H2,1-2H3.
What are the key properties of 4,5-dimethylpyrrolidin-2-ol?
4,5-dimethylpyrrolidin-2-ol has a molecular weight of 115.18 g/mol, XLogP of 0.32, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethylpyrrolidin-2-ol is sourced from PubChem (CID 163490256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).