1-(4-aminocyclopent-2-en-1-yl)oct-7-en-1-one

C13H21NO — CID 107010912

IUPAC1-(4-aminocyclopent-2-en-1-yl)oct-7-en-1-one
SMILESC=CCCCCCC(=O)C1C=CC(N)C1
InChIInChI=1S/C13H21NO/c1-2-3-4-5-6-7-13(15)11-8-9-12(14)10-11/h2,8-9,11-12H,1,3-7,10,14H2
InChIKeyFMYVHEBCOVKNMU-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.60
Rot. Bonds7

About 1-(4-aminocyclopent-2-en-1-yl)oct-7-en-1-one

1-(4-aminocyclopent-2-en-1-yl)oct-7-en-1-one (PubChem CID 107010912) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-(4-aminocyclopent-2-en-1-yl)oct-7-en-1-one.

Molecular Properties

Compound Name1-(4-aminocyclopent-2-en-1-yl)oct-7-en-1-one
PubChem CID107010912
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name1-(4-aminocyclopent-2-en-1-yl)oct-7-en-1-one
SMILESC=CCCCCCC(=O)C1C=CC(N)C1
InChIInChI=1S/C13H21NO/c1-2-3-4-5-6-7-13(15)11-8-9-12(14)10-11/h2,8-9,11-12H,1,3-7,10,14H2
InChIKeyFMYVHEBCOVKNMU-UHFFFAOYSA-N
XLogP2.60
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-aminocyclopent-2-en-1-yl)oct-7-en-1-one?
The IUPAC name of 1-(4-aminocyclopent-2-en-1-yl)oct-7-en-1-one (CID 107010912) is 1-(4-aminocyclopent-2-en-1-yl)oct-7-en-1-one.
What is the SMILES notation for 1-(4-aminocyclopent-2-en-1-yl)oct-7-en-1-one?
The canonical SMILES for 1-(4-aminocyclopent-2-en-1-yl)oct-7-en-1-one is C=CCCCCCC(=O)C1C=CC(N)C1.
What is the InChIKey of 1-(4-aminocyclopent-2-en-1-yl)oct-7-en-1-one?
The InChIKey is FMYVHEBCOVKNMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-2-3-4-5-6-7-13(15)11-8-9-12(14)10-11/h2,8-9,11-12H,1,3-7,10,14H2.
What are the key properties of 1-(4-aminocyclopent-2-en-1-yl)oct-7-en-1-one?
1-(4-aminocyclopent-2-en-1-yl)oct-7-en-1-one has a molecular weight of 207.32 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminocyclopent-2-en-1-yl)oct-7-en-1-one is sourced from PubChem (CID 107010912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).