N-(2-chlorooct-1-enyl)acetamide

C10H18ClNO — CID 131985980

IUPACN-(2-chlorooct-1-enyl)acetamide
SMILESCCCCCCC(Cl)=CNC(C)=O
InChIInChI=1S/C10H18ClNO/c1-3-4-5-6-7-10(11)8-12-9(2)13/h8H,3-7H2,1-2H3,(H,12,13)
InChIKeyOAKYEHUTTVNRBR-UHFFFAOYSA-N
MW203.71 g/mol
LogP3.17
Rot. Bonds6

About N-(2-chlorooct-1-enyl)acetamide

N-(2-chlorooct-1-enyl)acetamide (PubChem CID 131985980) has the molecular formula C10H18ClNO and a molecular weight of 203.71 g/mol. Its IUPAC name is N-(2-chlorooct-1-enyl)acetamide.

Molecular Properties

Compound NameN-(2-chlorooct-1-enyl)acetamide
PubChem CID131985980
Molecular FormulaC10H18ClNO
Molecular Weight203.71 g/mol
Exact Mass203.11
IUPAC NameN-(2-chlorooct-1-enyl)acetamide
SMILESCCCCCCC(Cl)=CNC(C)=O
InChIInChI=1S/C10H18ClNO/c1-3-4-5-6-7-10(11)8-12-9(2)13/h8H,3-7H2,1-2H3,(H,12,13)
InChIKeyOAKYEHUTTVNRBR-UHFFFAOYSA-N
XLogP3.17
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.71
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2-ethenyloct-1-enyl)acetamide
CID 71377368
N-acetylundecanamide
CID 18949728
nonadecanoyl chloride
CID 4250939
N-chlorodocosanamide
CID 141032944
N-decanoyldecanamide
CID 87914075
1-N',9-N'-di(heptanoyl)nonanedihydrazide
CID 154340616
N-formyloctadecanamide
CID 54418147
N-[(E)-dec-1-enyl]acetamide
CID 87894534
nonan-2-one
CID 13187
octadecakis(hexane);nonan-2-one
CID 173226284
decan-2-one
CID 12741
nonatriacontan-2-one
CID 141365496

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorooct-1-enyl)acetamide?
The IUPAC name of N-(2-chlorooct-1-enyl)acetamide (CID 131985980) is N-(2-chlorooct-1-enyl)acetamide.
What is the SMILES notation for N-(2-chlorooct-1-enyl)acetamide?
The canonical SMILES for N-(2-chlorooct-1-enyl)acetamide is CCCCCCC(Cl)=CNC(C)=O.
What is the InChIKey of N-(2-chlorooct-1-enyl)acetamide?
The InChIKey is OAKYEHUTTVNRBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClNO/c1-3-4-5-6-7-10(11)8-12-9(2)13/h8H,3-7H2,1-2H3,(H,12,13).
What are the key properties of N-(2-chlorooct-1-enyl)acetamide?
N-(2-chlorooct-1-enyl)acetamide has a molecular weight of 203.71 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorooct-1-enyl)acetamide is sourced from PubChem (CID 131985980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).