N-[[(4Z)-7-oxocyclooct-4-en-1-yl]methyl]acetamide

C11H17NO2 — CID 14503636

IUPACN-[[(4Z)-7-oxocyclooct-4-en-1-yl]methyl]acetamide
SMILESCC(=O)NCC1CC/C=C\CC(=O)C1
InChIInChI=1S/C11H17NO2/c1-9(13)12-8-10-5-3-2-4-6-11(14)7-10/h2,4,10H,3,5-8H2,1H3,(H,12,13)/b4-2-
InChIKeyHIYOKESEVZHJOF-RQOWECAXSA-N
MW195.26 g/mol
LogP1.44
Rot. Bonds2

About N-[[(4Z)-7-oxocyclooct-4-en-1-yl]methyl]acetamide

N-[[(4Z)-7-oxocyclooct-4-en-1-yl]methyl]acetamide (PubChem CID 14503636) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is N-[[(4Z)-7-oxocyclooct-4-en-1-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(4Z)-7-oxocyclooct-4-en-1-yl]methyl]acetamide
PubChem CID14503636
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC NameN-[[(4Z)-7-oxocyclooct-4-en-1-yl]methyl]acetamide
SMILESCC(=O)NCC1CC/C=C\CC(=O)C1
InChIInChI=1S/C11H17NO2/c1-9(13)12-8-10-5-3-2-4-6-11(14)7-10/h2,4,10H,3,5-8H2,1H3,(H,12,13)/b4-2-
InChIKeyHIYOKESEVZHJOF-RQOWECAXSA-N
XLogP1.44
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(9Z,12Z)-N-(3-methylbutyl)octadeca-9,12-dienamide
CID 76323953
ALA-VPA Conjugate-1
CID 162650105
5,9-dimethyl-N-octyldec-8-enamide
CID 44561012
Homospermidine Cmp-522
CID 139587683
N,N-bis(4-acetamidobutyl)-17-methyloctadec-6-enamide
CID 163062017
N,N-bis(4-acetamidobutyl)-15-methylhexadec-6E-enamide
CID 145453486
(2Z)-1-fluoro-N-propylcyclooct-2-ene-1-carboxamide
CID 134194605
(2Z)-1-fluoro-N-(2-methylpropyl)cyclooct-2-ene-1-carboxamide
CID 134194747
(5R,6E,9R)-5-ethyl-9-methyl-2,3,4,5,8,9-hexahydro-1H-azecin-10-one
CID 11019767
N-butyl-2-cyclopent-2-en-1-ylacetamide
CID 12175280
ethyl-N-hexylole amide
CID 129726491
(5R,6Z,9R)-5-ethyl-9-methyl-2,3,4,5,8,9-hexahydro-1H-azecin-10-one
CID 134964615

Frequently Asked Questions

What is the IUPAC name of N-[[(4Z)-7-oxocyclooct-4-en-1-yl]methyl]acetamide?
The IUPAC name of N-[[(4Z)-7-oxocyclooct-4-en-1-yl]methyl]acetamide (CID 14503636) is N-[[(4Z)-7-oxocyclooct-4-en-1-yl]methyl]acetamide.
What is the SMILES notation for N-[[(4Z)-7-oxocyclooct-4-en-1-yl]methyl]acetamide?
The canonical SMILES for N-[[(4Z)-7-oxocyclooct-4-en-1-yl]methyl]acetamide is CC(=O)NCC1CC/C=C\CC(=O)C1.
What is the InChIKey of N-[[(4Z)-7-oxocyclooct-4-en-1-yl]methyl]acetamide?
The InChIKey is HIYOKESEVZHJOF-RQOWECAXSA-N. The full InChI is InChI=1S/C11H17NO2/c1-9(13)12-8-10-5-3-2-4-6-11(14)7-10/h2,4,10H,3,5-8H2,1H3,(H,12,13)/b4-2-.
What are the key properties of N-[[(4Z)-7-oxocyclooct-4-en-1-yl]methyl]acetamide?
N-[[(4Z)-7-oxocyclooct-4-en-1-yl]methyl]acetamide has a molecular weight of 195.26 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(4Z)-7-oxocyclooct-4-en-1-yl]methyl]acetamide is sourced from PubChem (CID 14503636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).