1-[(3-methylcyclobutyl)methyl]azetidin-3-ol

C9H17NO — CID 123298054

IUPAC1-[(3-methylcyclobutyl)methyl]azetidin-3-ol
SMILESCC1CC(CN2CC(O)C2)C1
InChIInChI=1S/C9H17NO/c1-7-2-8(3-7)4-10-5-9(11)6-10/h7-9,11H,2-6H2,1H3
InChIKeyXDAKWKPRWVKXOQ-UHFFFAOYSA-N
MW155.24 g/mol
LogP0.71
Rot. Bonds2

About 1-[(3-methylcyclobutyl)methyl]azetidin-3-ol

1-[(3-methylcyclobutyl)methyl]azetidin-3-ol (PubChem CID 123298054) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 1-[(3-methylcyclobutyl)methyl]azetidin-3-ol.

Molecular Properties

Compound Name1-[(3-methylcyclobutyl)methyl]azetidin-3-ol
PubChem CID123298054
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name1-[(3-methylcyclobutyl)methyl]azetidin-3-ol
SMILESCC1CC(CN2CC(O)C2)C1
InChIInChI=1S/C9H17NO/c1-7-2-8(3-7)4-10-5-9(11)6-10/h7-9,11H,2-6H2,1H3
InChIKeyXDAKWKPRWVKXOQ-UHFFFAOYSA-N
XLogP0.71
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-methylcyclobutyl)methyl]azetidin-3-ol?
The IUPAC name of 1-[(3-methylcyclobutyl)methyl]azetidin-3-ol (CID 123298054) is 1-[(3-methylcyclobutyl)methyl]azetidin-3-ol.
What is the SMILES notation for 1-[(3-methylcyclobutyl)methyl]azetidin-3-ol?
The canonical SMILES for 1-[(3-methylcyclobutyl)methyl]azetidin-3-ol is CC1CC(CN2CC(O)C2)C1.
What is the InChIKey of 1-[(3-methylcyclobutyl)methyl]azetidin-3-ol?
The InChIKey is XDAKWKPRWVKXOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-7-2-8(3-7)4-10-5-9(11)6-10/h7-9,11H,2-6H2,1H3.
What are the key properties of 1-[(3-methylcyclobutyl)methyl]azetidin-3-ol?
1-[(3-methylcyclobutyl)methyl]azetidin-3-ol has a molecular weight of 155.24 g/mol, XLogP of 0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methylcyclobutyl)methyl]azetidin-3-ol is sourced from PubChem (CID 123298054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).