1-(4-aminocyclopent-2-en-1-yl)decan-1-one

C15H27NO — CID 116584761

IUPAC1-(4-aminocyclopent-2-en-1-yl)decan-1-one
SMILESCCCCCCCCCC(=O)C1C=CC(N)C1
InChIInChI=1S/C15H27NO/c1-2-3-4-5-6-7-8-9-15(17)13-10-11-14(16)12-13/h10-11,13-14H,2-9,12,16H2,1H3
InChIKeyTYVJBQINBDPXNB-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.60
Rot. Bonds9

About 1-(4-aminocyclopent-2-en-1-yl)decan-1-one

1-(4-aminocyclopent-2-en-1-yl)decan-1-one (PubChem CID 116584761) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is 1-(4-aminocyclopent-2-en-1-yl)decan-1-one.

Molecular Properties

Compound Name1-(4-aminocyclopent-2-en-1-yl)decan-1-one
PubChem CID116584761
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name1-(4-aminocyclopent-2-en-1-yl)decan-1-one
SMILESCCCCCCCCCC(=O)C1C=CC(N)C1
InChIInChI=1S/C15H27NO/c1-2-3-4-5-6-7-8-9-15(17)13-10-11-14(16)12-13/h10-11,13-14H,2-9,12,16H2,1H3
InChIKeyTYVJBQINBDPXNB-UHFFFAOYSA-N
XLogP3.60
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.60
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)decan-1-one?
The IUPAC name of 1-(4-aminocyclopent-2-en-1-yl)decan-1-one (CID 116584761) is 1-(4-aminocyclopent-2-en-1-yl)decan-1-one.
What is the SMILES notation for 1-(4-aminocyclopent-2-en-1-yl)decan-1-one?
The canonical SMILES for 1-(4-aminocyclopent-2-en-1-yl)decan-1-one is CCCCCCCCCC(=O)C1C=CC(N)C1.
What is the InChIKey of 1-(4-aminocyclopent-2-en-1-yl)decan-1-one?
The InChIKey is TYVJBQINBDPXNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-2-3-4-5-6-7-8-9-15(17)13-10-11-14(16)12-13/h10-11,13-14H,2-9,12,16H2,1H3.
What are the key properties of 1-(4-aminocyclopent-2-en-1-yl)decan-1-one?
1-(4-aminocyclopent-2-en-1-yl)decan-1-one has a molecular weight of 237.39 g/mol, XLogP of 3.60, 9 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)decan-1-one is sourced from PubChem (CID 116584761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).