4-[(Z)-8-chlorooct-4-en-2,6-diynyl]azetidin-2-one

C11H10ClNO — CID 10262445

IUPAC4-[(Z)-8-chlorooct-4-en-2,6-diynyl]azetidin-2-one
SMILESO=C1CC(CC#C/C=C\C#CCCl)N1
InChIInChI=1S/C11H10ClNO/c12-8-6-4-2-1-3-5-7-10-9-11(14)13-10/h1-2,10H,7-9H2,(H,13,14)/b2-1-
InChIKeyDLYKXJWCFWMYPU-UPHRSURJSA-N
MW207.66 g/mol
LogP1.07
Rot. Bonds1

About 4-[(Z)-8-chlorooct-4-en-2,6-diynyl]azetidin-2-one

4-[(Z)-8-chlorooct-4-en-2,6-diynyl]azetidin-2-one (PubChem CID 10262445) has the molecular formula C11H10ClNO and a molecular weight of 207.66 g/mol. Its IUPAC name is 4-[(Z)-8-chlorooct-4-en-2,6-diynyl]azetidin-2-one.

Molecular Properties

Compound Name4-[(Z)-8-chlorooct-4-en-2,6-diynyl]azetidin-2-one
PubChem CID10262445
Molecular FormulaC11H10ClNO
Molecular Weight207.66 g/mol
Exact Mass207.05
IUPAC Name4-[(Z)-8-chlorooct-4-en-2,6-diynyl]azetidin-2-one
SMILESO=C1CC(CC#C/C=C\C#CCCl)N1
InChIInChI=1S/C11H10ClNO/c12-8-6-4-2-1-3-5-7-10-9-11(14)13-10/h1-2,10H,7-9H2,(H,13,14)/b2-1-
InChIKeyDLYKXJWCFWMYPU-UPHRSURJSA-N
XLogP1.07
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.66
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(4S)-4-(chloromethyl)azetidin-2-one
CID 148668649
4-(fluoromethyl)azetidin-2-one
CID 54536465
(4S)-4-propylazetidin-2-one
CID 18603540
(4S)-4-propylazetidin-2-one;hydrochloride
CID 66909952
(4R)-4-(methylsulfanylmethyl)azetidin-2-one
CID 20641349
2-[(2S)-4-oxoazetidin-2-yl]acetic acid
CID 12795461
4,8-bis(2-methylbutyl)-1,5-diazocane-2,6-dione
CID 11335055
4-(2-oxopropyl)azetidin-2-one
CID 10887909
4-(4-oxoazetidin-2-yl)but-2-enoic acid
CID 56616544
4-(4-phenylbut-3-ynyl)azetidin-2-one
CID 10821857
2-amino-6-(hydroxymethyl)-1,3-diazinan-4-one
CID 74659874
4-[2-(methylamino)ethoxymethyl]azetidin-2-one
CID 167468670

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-8-chlorooct-4-en-2,6-diynyl]azetidin-2-one?
The IUPAC name of 4-[(Z)-8-chlorooct-4-en-2,6-diynyl]azetidin-2-one (CID 10262445) is 4-[(Z)-8-chlorooct-4-en-2,6-diynyl]azetidin-2-one.
What is the SMILES notation for 4-[(Z)-8-chlorooct-4-en-2,6-diynyl]azetidin-2-one?
The canonical SMILES for 4-[(Z)-8-chlorooct-4-en-2,6-diynyl]azetidin-2-one is O=C1CC(CC#C/C=C\C#CCCl)N1.
What is the InChIKey of 4-[(Z)-8-chlorooct-4-en-2,6-diynyl]azetidin-2-one?
The InChIKey is DLYKXJWCFWMYPU-UPHRSURJSA-N. The full InChI is InChI=1S/C11H10ClNO/c12-8-6-4-2-1-3-5-7-10-9-11(14)13-10/h1-2,10H,7-9H2,(H,13,14)/b2-1-.
What are the key properties of 4-[(Z)-8-chlorooct-4-en-2,6-diynyl]azetidin-2-one?
4-[(Z)-8-chlorooct-4-en-2,6-diynyl]azetidin-2-one has a molecular weight of 207.66 g/mol, XLogP of 1.07, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-8-chlorooct-4-en-2,6-diynyl]azetidin-2-one is sourced from PubChem (CID 10262445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).