4-butyl-1-hex-2-ynylazetidin-2-one

C13H21NO — CID 58751484

IUPAC4-butyl-1-hex-2-ynylazetidin-2-one
SMILESCCCC#CCN1C(=O)CC1CCCC
InChIInChI=1S/C13H21NO/c1-3-5-7-8-10-14-12(9-6-4-2)11-13(14)15/h12H,3-6,9-11H2,1-2H3
InChIKeyBOVZJCURQHTKLR-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.58
Rot. Bonds5

About 4-butyl-1-hex-2-ynylazetidin-2-one

4-butyl-1-hex-2-ynylazetidin-2-one (PubChem CID 58751484) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 4-butyl-1-hex-2-ynylazetidin-2-one.

Molecular Properties

Compound Name4-butyl-1-hex-2-ynylazetidin-2-one
PubChem CID58751484
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name4-butyl-1-hex-2-ynylazetidin-2-one
SMILESCCCC#CCN1C(=O)CC1CCCC
InChIInChI=1S/C13H21NO/c1-3-5-7-8-10-14-12(9-6-4-2)11-13(14)15/h12H,3-6,9-11H2,1-2H3
InChIKeyBOVZJCURQHTKLR-UHFFFAOYSA-N
XLogP2.58
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-methyl-4-nonylazetidin-2-one
CID 70542920
1,3,4-tributylimidazolidin-2-one
CID 175192911
4-butyl-1-(9H-fluoren-9-yl)azetidin-2-one
CID 123358599
4-(hydroxymethyl)-5-methyl-1-propylpyrrolidin-2-one
CID 117021849
methyl 7-[2-(hydroxymethyl)-6-oxopiperidin-1-yl]hept-5-ynoate
CID 69020340
3-butyl-1-hydroxypyrrolidine-2,5-dione
CID 59622423
2-butyl-5-oxopyrrolidine-1-carboxamide
CID 69166364
tetradeca-4,9-diyne
CID 173328648
(4R,5S)-1,5-dibutyl-4-nitropyrrolidin-2-one
CID 134964701
2-hex-2-ynylisoindole-1,3-dione
CID 15470515
4-dodecyl-1-methylpyrrolidin-2-one
CID 175232910
4-benzyl-1-butylazetidin-2-one
CID 86190057

Frequently Asked Questions

What is the IUPAC name of 4-butyl-1-hex-2-ynylazetidin-2-one?
The IUPAC name of 4-butyl-1-hex-2-ynylazetidin-2-one (CID 58751484) is 4-butyl-1-hex-2-ynylazetidin-2-one.
What is the SMILES notation for 4-butyl-1-hex-2-ynylazetidin-2-one?
The canonical SMILES for 4-butyl-1-hex-2-ynylazetidin-2-one is CCCC#CCN1C(=O)CC1CCCC.
What is the InChIKey of 4-butyl-1-hex-2-ynylazetidin-2-one?
The InChIKey is BOVZJCURQHTKLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-3-5-7-8-10-14-12(9-6-4-2)11-13(14)15/h12H,3-6,9-11H2,1-2H3.
What are the key properties of 4-butyl-1-hex-2-ynylazetidin-2-one?
4-butyl-1-hex-2-ynylazetidin-2-one has a molecular weight of 207.32 g/mol, XLogP of 2.58, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-1-hex-2-ynylazetidin-2-one is sourced from PubChem (CID 58751484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).