4-tert-butyl-3-methylpyrrolidin-3-ol

C9H19NO — CID 115012307

IUPAC4-tert-butyl-3-methylpyrrolidin-3-ol
SMILESCC(C)(C)C1CNCC1(C)O
InChIInChI=1S/C9H19NO/c1-8(2,3)7-5-10-6-9(7,4)11/h7,10-11H,5-6H2,1-4H3
InChIKeyUDUKYPSWDXUWLR-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.00
Rot. Bonds

About 4-tert-butyl-3-methylpyrrolidin-3-ol

4-tert-butyl-3-methylpyrrolidin-3-ol (PubChem CID 115012307) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 4-tert-butyl-3-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name4-tert-butyl-3-methylpyrrolidin-3-ol
PubChem CID115012307
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name4-tert-butyl-3-methylpyrrolidin-3-ol
SMILESCC(C)(C)C1CNCC1(C)O
InChIInChI=1S/C9H19NO/c1-8(2,3)7-5-10-6-9(7,4)11/h7,10-11H,5-6H2,1-4H3
InChIKeyUDUKYPSWDXUWLR-UHFFFAOYSA-N
XLogP1.00
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-tert-butyl-3,3-dimethylpyrrolidine
CID 121207422
trans-(1R,2R)-2-tert-butyl-1-methylcyclobutan-1-ol
CID 171582108
[(3R,4S)-3-methyl-4-(trifluoromethyl)pyrrolidin-3-yl]methanol
CID 96868590
4-[(4-hydroxyphenyl)methyl]-3-methylpyrrolidin-3-ol
CID 115025240
trans-(1R,2R)-2-tert-butyl-1-methylcyclohexan-1-ol
CID 23305114
2-(2-hydroxy-2-methylpropyl)-1-methylcyclopropan-1-ol
CID 15327064
[(3S,4S)-4-hydroxy-4-methylpyrrolidin-3-yl]carbamic acid
CID 146268670
3-methylpiperidine-3,4-diol
CID 70672277
7-tert-butyl-2-azaspiro[3.3]heptane
CID 171431710
azetidin-3-ol;ethane;3-methylazetidin-3-ol
CID 145216921
4-cyclopropyl-3-methylpiperidin-3-ol
CID 115012094
4-[(2-methoxyphenyl)methyl]-3-methylpyrrolidin-3-ol
CID 115032711

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-3-methylpyrrolidin-3-ol?
The IUPAC name of 4-tert-butyl-3-methylpyrrolidin-3-ol (CID 115012307) is 4-tert-butyl-3-methylpyrrolidin-3-ol.
What is the SMILES notation for 4-tert-butyl-3-methylpyrrolidin-3-ol?
The canonical SMILES for 4-tert-butyl-3-methylpyrrolidin-3-ol is CC(C)(C)C1CNCC1(C)O.
What is the InChIKey of 4-tert-butyl-3-methylpyrrolidin-3-ol?
The InChIKey is UDUKYPSWDXUWLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-8(2,3)7-5-10-6-9(7,4)11/h7,10-11H,5-6H2,1-4H3.
What are the key properties of 4-tert-butyl-3-methylpyrrolidin-3-ol?
4-tert-butyl-3-methylpyrrolidin-3-ol has a molecular weight of 157.26 g/mol, XLogP of 1.00, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-3-methylpyrrolidin-3-ol is sourced from PubChem (CID 115012307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).