cyclohept-4-ene-1-carboxamide

C8H13NO — CID 14949722

IUPACcyclohept-4-ene-1-carboxamide
SMILESNC(=O)C1CCC=CCC1
InChIInChI=1S/C8H13NO/c9-8(10)7-5-3-1-2-4-6-7/h1-2,7H,3-6H2,(H2,9,10)
InChIKeyFPHIXPSXIBUGQN-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.22
Rot. Bonds1

About cyclohept-4-ene-1-carboxamide

cyclohept-4-ene-1-carboxamide (PubChem CID 14949722) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is cyclohept-4-ene-1-carboxamide.

Molecular Properties

Compound Namecyclohept-4-ene-1-carboxamide
PubChem CID14949722
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Namecyclohept-4-ene-1-carboxamide
SMILESNC(=O)C1CCC=CCC1
InChIInChI=1S/C8H13NO/c9-8(10)7-5-3-1-2-4-6-7/h1-2,7H,3-6H2,(H2,9,10)
InChIKeyFPHIXPSXIBUGQN-UHFFFAOYSA-N
XLogP1.22
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclohept-4-ene-1-carboxamide?
The IUPAC name of cyclohept-4-ene-1-carboxamide (CID 14949722) is cyclohept-4-ene-1-carboxamide.
What is the SMILES notation for cyclohept-4-ene-1-carboxamide?
The canonical SMILES for cyclohept-4-ene-1-carboxamide is NC(=O)C1CCC=CCC1.
What is the InChIKey of cyclohept-4-ene-1-carboxamide?
The InChIKey is FPHIXPSXIBUGQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c9-8(10)7-5-3-1-2-4-6-7/h1-2,7H,3-6H2,(H2,9,10).
What are the key properties of cyclohept-4-ene-1-carboxamide?
cyclohept-4-ene-1-carboxamide has a molecular weight of 139.20 g/mol, XLogP of 1.22, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohept-4-ene-1-carboxamide is sourced from PubChem (CID 14949722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).