3-methyl-1-pyrrolidin-3-ylbutan-1-ol

C9H19NO — CID 78158472

IUPAC3-methyl-1-pyrrolidin-3-ylbutan-1-ol
SMILESCC(C)CC(O)C1CCNC1
InChIInChI=1S/C9H19NO/c1-7(2)5-9(11)8-3-4-10-6-8/h7-11H,3-6H2,1-2H3
InChIKeyUAXBOTKRAOGZNM-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.00
Rot. Bonds3

About 3-methyl-1-pyrrolidin-3-ylbutan-1-ol

3-methyl-1-pyrrolidin-3-ylbutan-1-ol (PubChem CID 78158472) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 3-methyl-1-pyrrolidin-3-ylbutan-1-ol.

Molecular Properties

Compound Name3-methyl-1-pyrrolidin-3-ylbutan-1-ol
PubChem CID78158472
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name3-methyl-1-pyrrolidin-3-ylbutan-1-ol
SMILESCC(C)CC(O)C1CCNC1
InChIInChI=1S/C9H19NO/c1-7(2)5-9(11)8-3-4-10-6-8/h7-11H,3-6H2,1-2H3
InChIKeyUAXBOTKRAOGZNM-UHFFFAOYSA-N
XLogP1.00
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
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

(1R)-1-[(3R)-pyrrolidin-3-yl]ethane-1,2-diol
CID 55287714
3-methyl-1-pyrrolidin-3-ylbutan-1-amine
CID 82416019
2-cyclopropyl-1-[(3R)-pyrrolidin-3-yl]ethanol
CID 164654555
2-amino-4-hydroxy-4-pyrrolidin-3-ylbutanoic acid
CID 105443031
3-methyl-1-piperidin-3-ylpentan-1-ol
CID 80559058
2-piperazin-1-yl-1-pyrrolidin-3-ylethanol
CID 115021800
2-(2-methyltetrazol-5-yl)-1-[(3S)-pyrrolidin-3-yl]ethanol
CID 164653633
(3R)-3-(1-iodoethyl)pyrrolidine
CID 89293649
molecular hydrogen;3-propan-2-ylpyrrolidine;hydrofluoride
CID 168909701
4-pyrrolidin-3-ylpentan-1-ol
CID 67275378
3-methyl-1-piperidin-3-ylbutan-1-amine
CID 82412260
2-(4-methoxyphenoxy)-1-pyrrolidin-3-ylethanol
CID 117237470

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-pyrrolidin-3-ylbutan-1-ol?
The IUPAC name of 3-methyl-1-pyrrolidin-3-ylbutan-1-ol (CID 78158472) is 3-methyl-1-pyrrolidin-3-ylbutan-1-ol.
What is the SMILES notation for 3-methyl-1-pyrrolidin-3-ylbutan-1-ol?
The canonical SMILES for 3-methyl-1-pyrrolidin-3-ylbutan-1-ol is CC(C)CC(O)C1CCNC1.
What is the InChIKey of 3-methyl-1-pyrrolidin-3-ylbutan-1-ol?
The InChIKey is UAXBOTKRAOGZNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-7(2)5-9(11)8-3-4-10-6-8/h7-11H,3-6H2,1-2H3.
What are the key properties of 3-methyl-1-pyrrolidin-3-ylbutan-1-ol?
3-methyl-1-pyrrolidin-3-ylbutan-1-ol has a molecular weight of 157.26 g/mol, XLogP of 1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-pyrrolidin-3-ylbutan-1-ol is sourced from PubChem (CID 78158472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).