4,4-dimethyl-2-pyrrolidin-2-ylpentan-2-ol

C11H23NO — CID 130920740

IUPAC4,4-dimethyl-2-pyrrolidin-2-ylpentan-2-ol
SMILESCC(C)(C)CC(C)(O)C1CCCN1
InChIInChI=1S/C11H23NO/c1-10(2,3)8-11(4,13)9-6-5-7-12-9/h9,12-13H,5-8H2,1-4H3
InChIKeyMLZLVDGHEUQVHA-UHFFFAOYSA-N
MW185.31 g/mol
LogP1.93
Rot. Bonds2

About 4,4-dimethyl-2-pyrrolidin-2-ylpentan-2-ol

4,4-dimethyl-2-pyrrolidin-2-ylpentan-2-ol (PubChem CID 130920740) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 4,4-dimethyl-2-pyrrolidin-2-ylpentan-2-ol.

Molecular Properties

Compound Name4,4-dimethyl-2-pyrrolidin-2-ylpentan-2-ol
PubChem CID130920740
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name4,4-dimethyl-2-pyrrolidin-2-ylpentan-2-ol
SMILESCC(C)(C)CC(C)(O)C1CCCN1
InChIInChI=1S/C11H23NO/c1-10(2,3)8-11(4,13)9-6-5-7-12-9/h9,12-13H,5-8H2,1-4H3
InChIKeyMLZLVDGHEUQVHA-UHFFFAOYSA-N
XLogP1.93
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2R)-pyrrolidin-2-yl]propan-2-ol
CID 12732175
1-chloro-1-pyrrolidin-2-ylethanol
CID 126542181
1-(4-methylphenyl)-2-pyrrolidin-2-ylpropan-2-ol
CID 105474764
(2R)-3-methyl-2-[(2S)-pyrrolidin-2-yl]butan-2-ol
CID 138485633
2-tert-butylpyrrolidine;methane
CID 174978961
2-piperidin-2-ylhex-5-en-2-ol
CID 104656204
4-methyl-2-(2,4,4-trimethylpentan-2-yl)azepane
CID 143027382
2-[(2S)-pyrrolidin-2-yl]but-3-yn-2-ol
CID 137368500
4-(2-methoxyethylamino)-2-pyrrolidin-2-ylbutan-2-ol
CID 66003683
(2S)-2-[(2S)-pyrrolidin-2-yl]but-3-yn-2-ol;sulfane
CID 167598159
2-tert-butylpyrrolidine;2-methylpropane
CID 143359861
2-piperidin-2-ylpropan-2-amine
CID 55284786

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-pyrrolidin-2-ylpentan-2-ol?
The IUPAC name of 4,4-dimethyl-2-pyrrolidin-2-ylpentan-2-ol (CID 130920740) is 4,4-dimethyl-2-pyrrolidin-2-ylpentan-2-ol.
What is the SMILES notation for 4,4-dimethyl-2-pyrrolidin-2-ylpentan-2-ol?
The canonical SMILES for 4,4-dimethyl-2-pyrrolidin-2-ylpentan-2-ol is CC(C)(C)CC(C)(O)C1CCCN1.
What is the InChIKey of 4,4-dimethyl-2-pyrrolidin-2-ylpentan-2-ol?
The InChIKey is MLZLVDGHEUQVHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-10(2,3)8-11(4,13)9-6-5-7-12-9/h9,12-13H,5-8H2,1-4H3.
What are the key properties of 4,4-dimethyl-2-pyrrolidin-2-ylpentan-2-ol?
4,4-dimethyl-2-pyrrolidin-2-ylpentan-2-ol has a molecular weight of 185.31 g/mol, XLogP of 1.93, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-pyrrolidin-2-ylpentan-2-ol is sourced from PubChem (CID 130920740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).