N-[(Z)-3-oxooct-1-enyl]cyclohexanecarboxamide

C15H25NO2 — CID 134967356

IUPACN-[(Z)-3-oxooct-1-enyl]cyclohexanecarboxamide
SMILESCCCCCC(=O)/C=C\NC(=O)C1CCCCC1
InChIInChI=1S/C15H25NO2/c1-2-3-5-10-14(17)11-12-16-15(18)13-8-6-4-7-9-13/h11-13H,2-10H2,1H3,(H,16,18)/b12-11-
InChIKeyVGMAMMCDEPTLFR-QXMHVHEDSA-N
MW251.37 g/mol
LogP3.35
Rot. Bonds7

About N-[(Z)-3-oxooct-1-enyl]cyclohexanecarboxamide

N-[(Z)-3-oxooct-1-enyl]cyclohexanecarboxamide (PubChem CID 134967356) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is N-[(Z)-3-oxooct-1-enyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(Z)-3-oxooct-1-enyl]cyclohexanecarboxamide
PubChem CID134967356
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC NameN-[(Z)-3-oxooct-1-enyl]cyclohexanecarboxamide
SMILESCCCCCC(=O)/C=C\NC(=O)C1CCCCC1
InChIInChI=1S/C15H25NO2/c1-2-3-5-10-14(17)11-12-16-15(18)13-8-6-4-7-9-13/h11-13H,2-10H2,1H3,(H,16,18)/b12-11-
InChIKeyVGMAMMCDEPTLFR-QXMHVHEDSA-N
XLogP3.35
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-3-oxooct-1-enyl]cyclohexanecarboxamide?
The IUPAC name of N-[(Z)-3-oxooct-1-enyl]cyclohexanecarboxamide (CID 134967356) is N-[(Z)-3-oxooct-1-enyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[(Z)-3-oxooct-1-enyl]cyclohexanecarboxamide?
The canonical SMILES for N-[(Z)-3-oxooct-1-enyl]cyclohexanecarboxamide is CCCCCC(=O)/C=C\NC(=O)C1CCCCC1.
What is the InChIKey of N-[(Z)-3-oxooct-1-enyl]cyclohexanecarboxamide?
The InChIKey is VGMAMMCDEPTLFR-QXMHVHEDSA-N. The full InChI is InChI=1S/C15H25NO2/c1-2-3-5-10-14(17)11-12-16-15(18)13-8-6-4-7-9-13/h11-13H,2-10H2,1H3,(H,16,18)/b12-11-.
What are the key properties of N-[(Z)-3-oxooct-1-enyl]cyclohexanecarboxamide?
N-[(Z)-3-oxooct-1-enyl]cyclohexanecarboxamide has a molecular weight of 251.37 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-3-oxooct-1-enyl]cyclohexanecarboxamide is sourced from PubChem (CID 134967356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).