3-butyl-1-(hydroxymethyl)-4-phenylazetidin-2-one

C14H19NO2 — CID 11776163

IUPAC3-butyl-1-(hydroxymethyl)-4-phenylazetidin-2-one
SMILESCCCCC1C(=O)N(CO)C1c1ccccc1
InChIInChI=1S/C14H19NO2/c1-2-3-9-12-13(15(10-16)14(12)17)11-7-5-4-6-8-11/h4-8,12-13,16H,2-3,9-10H2,1H3
InChIKeyBEDNLMQPVKZMEJ-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.33
Rot. Bonds5

About 3-butyl-1-(hydroxymethyl)-4-phenylazetidin-2-one

3-butyl-1-(hydroxymethyl)-4-phenylazetidin-2-one (PubChem CID 11776163) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 3-butyl-1-(hydroxymethyl)-4-phenylazetidin-2-one.

Molecular Properties

Compound Name3-butyl-1-(hydroxymethyl)-4-phenylazetidin-2-one
PubChem CID11776163
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name3-butyl-1-(hydroxymethyl)-4-phenylazetidin-2-one
SMILESCCCCC1C(=O)N(CO)C1c1ccccc1
InChIInChI=1S/C14H19NO2/c1-2-3-9-12-13(15(10-16)14(12)17)11-7-5-4-6-8-11/h4-8,12-13,16H,2-3,9-10H2,1H3
InChIKeyBEDNLMQPVKZMEJ-UHFFFAOYSA-N
XLogP2.33
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 3-(1-benzyl-2-oxo-4-phenylazetidin-3-yl)propanoate
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(2S,3S)-1-butyl-2,3-diphenylaziridine
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6-decyl-1-hydroxy-3-phenylpiperidin-2-one
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3,5-dibutyl-2-phenylimidazolidin-4-one
CID 83237789
(4S)-1,3-dibenzyl-4-phenylazetidin-2-one
CID 58632784
1-hexyl-3,4-diphenylpyrrolidine-2,5-dione
CID 58821955
cis-(3R,4S)-3-butyl-2,2-dimethyl-4-phenylcyclobutan-1-one
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CID 99119850

Frequently Asked Questions

What is the IUPAC name of 3-butyl-1-(hydroxymethyl)-4-phenylazetidin-2-one?
The IUPAC name of 3-butyl-1-(hydroxymethyl)-4-phenylazetidin-2-one (CID 11776163) is 3-butyl-1-(hydroxymethyl)-4-phenylazetidin-2-one.
What is the SMILES notation for 3-butyl-1-(hydroxymethyl)-4-phenylazetidin-2-one?
The canonical SMILES for 3-butyl-1-(hydroxymethyl)-4-phenylazetidin-2-one is CCCCC1C(=O)N(CO)C1c1ccccc1.
What is the InChIKey of 3-butyl-1-(hydroxymethyl)-4-phenylazetidin-2-one?
The InChIKey is BEDNLMQPVKZMEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-2-3-9-12-13(15(10-16)14(12)17)11-7-5-4-6-8-11/h4-8,12-13,16H,2-3,9-10H2,1H3.
What are the key properties of 3-butyl-1-(hydroxymethyl)-4-phenylazetidin-2-one?
3-butyl-1-(hydroxymethyl)-4-phenylazetidin-2-one has a molecular weight of 233.31 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-1-(hydroxymethyl)-4-phenylazetidin-2-one is sourced from PubChem (CID 11776163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).