1-(4-aminocyclopent-2-en-1-yl)-3-ethylheptan-1-one

C14H25NO — CID 116584757

IUPAC1-(4-aminocyclopent-2-en-1-yl)-3-ethylheptan-1-one
SMILESCCCCC(CC)CC(=O)C1C=CC(N)C1
InChIInChI=1S/C14H25NO/c1-3-5-6-11(4-2)9-14(16)12-7-8-13(15)10-12/h7-8,11-13H,3-6,9-10,15H2,1-2H3
InChIKeyQCHIZDVTLOSRDQ-UHFFFAOYSA-N
MW223.36 g/mol
LogP3.07
Rot. Bonds7

About 1-(4-aminocyclopent-2-en-1-yl)-3-ethylheptan-1-one

1-(4-aminocyclopent-2-en-1-yl)-3-ethylheptan-1-one (PubChem CID 116584757) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 1-(4-aminocyclopent-2-en-1-yl)-3-ethylheptan-1-one.

Molecular Properties

Compound Name1-(4-aminocyclopent-2-en-1-yl)-3-ethylheptan-1-one
PubChem CID116584757
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name1-(4-aminocyclopent-2-en-1-yl)-3-ethylheptan-1-one
SMILESCCCCC(CC)CC(=O)C1C=CC(N)C1
InChIInChI=1S/C14H25NO/c1-3-5-6-11(4-2)9-14(16)12-7-8-13(15)10-12/h7-8,11-13H,3-6,9-10,15H2,1-2H3
InChIKeyQCHIZDVTLOSRDQ-UHFFFAOYSA-N
XLogP3.07
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(4-aminocyclopent-2-en-1-yl)-3-ethylheptan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminocyclopent-2-en-1-yl)-3-ethylheptan-1-one?
The IUPAC name of 1-(4-aminocyclopent-2-en-1-yl)-3-ethylheptan-1-one (CID 116584757) is 1-(4-aminocyclopent-2-en-1-yl)-3-ethylheptan-1-one.
What is the SMILES notation for 1-(4-aminocyclopent-2-en-1-yl)-3-ethylheptan-1-one?
The canonical SMILES for 1-(4-aminocyclopent-2-en-1-yl)-3-ethylheptan-1-one is CCCCC(CC)CC(=O)C1C=CC(N)C1.
What is the InChIKey of 1-(4-aminocyclopent-2-en-1-yl)-3-ethylheptan-1-one?
The InChIKey is QCHIZDVTLOSRDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-3-5-6-11(4-2)9-14(16)12-7-8-13(15)10-12/h7-8,11-13H,3-6,9-10,15H2,1-2H3.
What are the key properties of 1-(4-aminocyclopent-2-en-1-yl)-3-ethylheptan-1-one?
1-(4-aminocyclopent-2-en-1-yl)-3-ethylheptan-1-one has a molecular weight of 223.36 g/mol, XLogP of 3.07, 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)-3-ethylheptan-1-one is sourced from PubChem (CID 116584757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).