4-benzyl-1-butylazetidin-2-one

C14H19NO — CID 86190057

IUPAC4-benzyl-1-butylazetidin-2-one
SMILESCCCCN1C(=O)CC1Cc1ccccc1
InChIInChI=1S/C14H19NO/c1-2-3-9-15-13(11-14(15)16)10-12-7-5-4-6-8-12/h4-8,13H,2-3,9-11H2,1H3
InChIKeyONPONGNVAWKWHD-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.63
Rot. Bonds5

About 4-benzyl-1-butylazetidin-2-one

4-benzyl-1-butylazetidin-2-one (PubChem CID 86190057) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 4-benzyl-1-butylazetidin-2-one.

Molecular Properties

Compound Name4-benzyl-1-butylazetidin-2-one
PubChem CID86190057
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name4-benzyl-1-butylazetidin-2-one
SMILESCCCCN1C(=O)CC1Cc1ccccc1
InChIInChI=1S/C14H19NO/c1-2-3-9-15-13(11-14(15)16)10-12-7-5-4-6-8-12/h4-8,13H,2-3,9-11H2,1H3
InChIKeyONPONGNVAWKWHD-UHFFFAOYSA-N
XLogP2.63
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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(4S)-4-benzyl-3-propyl-1,3-oxazolidin-2-one
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CID 54253000
(5S)-4-butyl-5-phenyl-1,2,4-triazolidin-3-one
CID 97301803
(4S)-4-benzyl-1-butylimidazolidin-2-one
CID 102070726
2-benzyl-1-propyl-2,3-dihydropyridin-4-one;ethane
CID 144683049
(2R)-2-benzyl-1-methylaziridine
CID 87174257
tert-butyl (2S)-2-benzyl-4-oxoazetidine-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1-butylazetidin-2-one?
The IUPAC name of 4-benzyl-1-butylazetidin-2-one (CID 86190057) is 4-benzyl-1-butylazetidin-2-one.
What is the SMILES notation for 4-benzyl-1-butylazetidin-2-one?
The canonical SMILES for 4-benzyl-1-butylazetidin-2-one is CCCCN1C(=O)CC1Cc1ccccc1.
What is the InChIKey of 4-benzyl-1-butylazetidin-2-one?
The InChIKey is ONPONGNVAWKWHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-2-3-9-15-13(11-14(15)16)10-12-7-5-4-6-8-12/h4-8,13H,2-3,9-11H2,1H3.
What are the key properties of 4-benzyl-1-butylazetidin-2-one?
4-benzyl-1-butylazetidin-2-one has a molecular weight of 217.31 g/mol, XLogP of 2.63, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1-butylazetidin-2-one is sourced from PubChem (CID 86190057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).