5,5-dimethylpyrrolidin-3-ol

C6H13NO — CID 84731058

IUPAC5,5-dimethylpyrrolidin-3-ol
SMILESCC1(C)CC(O)CN1
InChIInChI=1S/C6H13NO/c1-6(2)3-5(8)4-7-6/h5,7-8H,3-4H2,1-2H3
InChIKeyHFTIGFBKBVCGPD-UHFFFAOYSA-N
MW115.18 g/mol
LogP0.12
Rot. Bonds

About 5,5-dimethylpyrrolidin-3-ol

5,5-dimethylpyrrolidin-3-ol (PubChem CID 84731058) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is 5,5-dimethylpyrrolidin-3-ol.

Molecular Properties

Compound Name5,5-dimethylpyrrolidin-3-ol
PubChem CID84731058
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name5,5-dimethylpyrrolidin-3-ol
SMILESCC1(C)CC(O)CN1
InChIInChI=1S/C6H13NO/c1-6(2)3-5(8)4-7-6/h5,7-8H,3-4H2,1-2H3
InChIKeyHFTIGFBKBVCGPD-UHFFFAOYSA-N
XLogP0.12
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 ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethylpyrrolidin-3-ol?
The IUPAC name of 5,5-dimethylpyrrolidin-3-ol (CID 84731058) is 5,5-dimethylpyrrolidin-3-ol.
What is the SMILES notation for 5,5-dimethylpyrrolidin-3-ol?
The canonical SMILES for 5,5-dimethylpyrrolidin-3-ol is CC1(C)CC(O)CN1.
What is the InChIKey of 5,5-dimethylpyrrolidin-3-ol?
The InChIKey is HFTIGFBKBVCGPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO/c1-6(2)3-5(8)4-7-6/h5,7-8H,3-4H2,1-2H3.
What are the key properties of 5,5-dimethylpyrrolidin-3-ol?
5,5-dimethylpyrrolidin-3-ol has a molecular weight of 115.18 g/mol, XLogP of 0.12, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethylpyrrolidin-3-ol is sourced from PubChem (CID 84731058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).