(4,4-dimethylpyrrolidin-3-yl)methanol

C7H15NO — CID 54276003

IUPAC(4,4-dimethylpyrrolidin-3-yl)methanol
SMILESCC1(C)CNCC1CO
InChIInChI=1S/C7H15NO/c1-7(2)5-8-3-6(7)4-9/h6,8-9H,3-5H2,1-2H3
InChIKeyRNLYNQCOUUKVGM-UHFFFAOYSA-N
MW129.20 g/mol
LogP0.22
Rot. Bonds1

About (4,4-dimethylpyrrolidin-3-yl)methanol

(4,4-dimethylpyrrolidin-3-yl)methanol (PubChem CID 54276003) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is (4,4-dimethylpyrrolidin-3-yl)methanol.

Molecular Properties

Compound Name(4,4-dimethylpyrrolidin-3-yl)methanol
PubChem CID54276003
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name(4,4-dimethylpyrrolidin-3-yl)methanol
SMILESCC1(C)CNCC1CO
InChIInChI=1S/C7H15NO/c1-7(2)5-8-3-6(7)4-9/h6,8-9H,3-5H2,1-2H3
InChIKeyRNLYNQCOUUKVGM-UHFFFAOYSA-N
XLogP0.22
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4,4-dimethylpyrrolidin-3-yl)methanol?
The IUPAC name of (4,4-dimethylpyrrolidin-3-yl)methanol (CID 54276003) is (4,4-dimethylpyrrolidin-3-yl)methanol.
What is the SMILES notation for (4,4-dimethylpyrrolidin-3-yl)methanol?
The canonical SMILES for (4,4-dimethylpyrrolidin-3-yl)methanol is CC1(C)CNCC1CO.
What is the InChIKey of (4,4-dimethylpyrrolidin-3-yl)methanol?
The InChIKey is RNLYNQCOUUKVGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-7(2)5-8-3-6(7)4-9/h6,8-9H,3-5H2,1-2H3.
What are the key properties of (4,4-dimethylpyrrolidin-3-yl)methanol?
(4,4-dimethylpyrrolidin-3-yl)methanol has a molecular weight of 129.20 g/mol, XLogP of 0.22, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-dimethylpyrrolidin-3-yl)methanol is sourced from PubChem (CID 54276003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).