(E)-N-cyclohexyl-6-oxohept-2-enamide

C13H21NO2 — CID 135080552

IUPAC(E)-N-cyclohexyl-6-oxohept-2-enamide
SMILESCC(=O)CC/C=C/C(=O)NC1CCCCC1
InChIInChI=1S/C13H21NO2/c1-11(15)7-5-6-10-13(16)14-12-8-3-2-4-9-12/h6,10,12H,2-5,7-9H2,1H3,(H,14,16)/b10-6+
InChIKeyCMCTYDFYBOZZPF-UXBLZVDNSA-N
MW223.32 g/mol
LogP2.36
Rot. Bonds5

About (E)-N-cyclohexyl-6-oxohept-2-enamide

(E)-N-cyclohexyl-6-oxohept-2-enamide (PubChem CID 135080552) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is (E)-N-cyclohexyl-6-oxohept-2-enamide.

Molecular Properties

Compound Name(E)-N-cyclohexyl-6-oxohept-2-enamide
PubChem CID135080552
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name(E)-N-cyclohexyl-6-oxohept-2-enamide
SMILESCC(=O)CC/C=C/C(=O)NC1CCCCC1
InChIInChI=1S/C13H21NO2/c1-11(15)7-5-6-10-13(16)14-12-8-3-2-4-9-12/h6,10,12H,2-5,7-9H2,1H3,(H,14,16)/b10-6+
InChIKeyCMCTYDFYBOZZPF-UXBLZVDNSA-N
XLogP2.36
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-N-heptan-4-ylhex-2-enamide
CID 57527746
(E)-8-oxo-N-propan-2-yloctadec-9-enamide
CID 53318764
(E)-10-oxo-N-propan-2-yloctadec-8-enamide
CID 53320086
(E)-11-oxo-N-propan-2-yloctadec-9-enamide
CID 53324054
(E)-9-oxo-N-propan-2-yloctadec-10-enamide
CID 53325365
(6S)-6-Pentadecyl-5,6-dihydropyridin-2(1H)-one
CID 11616510
(r,s)-6-Butyl-3,6-dihydro-1h-pyridin-2-one
CID 13616833
(2E,4E,8Z)-N-[(2S)-butan-2-yl]-12-oxotetradeca-2,4,8-trienamide
CID 163105333
2-ethyl-3-fluoro-4-(2-fluoroethylamino)-N-(4-oxocyclohex-2-en-1-yl)but-2-enamide
CID 123732580
N-cyclohex-2-en-1-ylpropanamide
CID 13421053
(2E,4E)-N-cyclohexylocta-2,4-dienamide
CID 11074950
(E)-N-cyclohexylnon-2-enamide
CID 135060929

Frequently Asked Questions

What is the IUPAC name of (E)-N-cyclohexyl-6-oxohept-2-enamide?
The IUPAC name of (E)-N-cyclohexyl-6-oxohept-2-enamide (CID 135080552) is (E)-N-cyclohexyl-6-oxohept-2-enamide.
What is the SMILES notation for (E)-N-cyclohexyl-6-oxohept-2-enamide?
The canonical SMILES for (E)-N-cyclohexyl-6-oxohept-2-enamide is CC(=O)CC/C=C/C(=O)NC1CCCCC1.
What is the InChIKey of (E)-N-cyclohexyl-6-oxohept-2-enamide?
The InChIKey is CMCTYDFYBOZZPF-UXBLZVDNSA-N. The full InChI is InChI=1S/C13H21NO2/c1-11(15)7-5-6-10-13(16)14-12-8-3-2-4-9-12/h6,10,12H,2-5,7-9H2,1H3,(H,14,16)/b10-6+.
What are the key properties of (E)-N-cyclohexyl-6-oxohept-2-enamide?
(E)-N-cyclohexyl-6-oxohept-2-enamide has a molecular weight of 223.32 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-cyclohexyl-6-oxohept-2-enamide is sourced from PubChem (CID 135080552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).