1-(pyrrolidin-1-ylmethyl)azetidin-3-ol

C8H16N2O — CID 67354689

IUPAC1-(pyrrolidin-1-ylmethyl)azetidin-3-ol
SMILESOC1CN(CN2CCCC2)C1
InChIInChI=1S/C8H16N2O/c11-8-5-10(6-8)7-9-3-1-2-4-9/h8,11H,1-7H2
InChIKeyRDLKWXMVKVEHJW-UHFFFAOYSA-N
MW156.23 g/mol
LogP-0.28
Rot. Bonds2

About 1-(pyrrolidin-1-ylmethyl)azetidin-3-ol

1-(pyrrolidin-1-ylmethyl)azetidin-3-ol (PubChem CID 67354689) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 1-(pyrrolidin-1-ylmethyl)azetidin-3-ol.

Molecular Properties

Compound Name1-(pyrrolidin-1-ylmethyl)azetidin-3-ol
PubChem CID67354689
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name1-(pyrrolidin-1-ylmethyl)azetidin-3-ol
SMILESOC1CN(CN2CCCC2)C1
InChIInChI=1S/C8H16N2O/c11-8-5-10(6-8)7-9-3-1-2-4-9/h8,11H,1-7H2
InChIKeyRDLKWXMVKVEHJW-UHFFFAOYSA-N
XLogP-0.28
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-1-(pyrrolidin-1-ylmethyl)pyrrolidine
CID 18180007
(3R)-1-(2-methylpropyl)azepan-3-ol
CID 171752832
1-(chloromethyl)piperidin-3-ol
CID 53403087
1-(fluoromethyl)azetidin-3-ol
CID 163501789
1-ethylazetidin-3-ol;hydrochloride
CID 57415896
2-(3-hydroxypiperidin-1-yl)-1-pyrrolidin-1-ylethanone
CID 60645203
2-(3-hydroxypiperidin-1-yl)acetaldehyde
CID 62035044
1-(azocan-1-yl)-2-[(3S)-3-hydroxypiperidin-1-yl]ethanone
CID 107226024
1-(azepan-1-yl)-2-[(3R)-3-hydroxypiperidin-1-yl]ethanone
CID 129367078
1-(piperidin-1-ylmethyl)piperazine
CID 20508970
(3R)-1-benzylazepan-3-ol
CID 124585423
(3S)-1-(3-aminopropyl)piperidin-3-ol
CID 7183117

Frequently Asked Questions

What is the IUPAC name of 1-(pyrrolidin-1-ylmethyl)azetidin-3-ol?
The IUPAC name of 1-(pyrrolidin-1-ylmethyl)azetidin-3-ol (CID 67354689) is 1-(pyrrolidin-1-ylmethyl)azetidin-3-ol.
What is the SMILES notation for 1-(pyrrolidin-1-ylmethyl)azetidin-3-ol?
The canonical SMILES for 1-(pyrrolidin-1-ylmethyl)azetidin-3-ol is OC1CN(CN2CCCC2)C1.
What is the InChIKey of 1-(pyrrolidin-1-ylmethyl)azetidin-3-ol?
The InChIKey is RDLKWXMVKVEHJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c11-8-5-10(6-8)7-9-3-1-2-4-9/h8,11H,1-7H2.
What are the key properties of 1-(pyrrolidin-1-ylmethyl)azetidin-3-ol?
1-(pyrrolidin-1-ylmethyl)azetidin-3-ol has a molecular weight of 156.23 g/mol, XLogP of -0.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyrrolidin-1-ylmethyl)azetidin-3-ol is sourced from PubChem (CID 67354689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).