(cycloundecylideneamino) acetate

C13H23NO2 — CID 87078754

IUPAC(cycloundecylideneamino) acetate
SMILESCC(=O)ON=C1CCCCCCCCCC1
InChIInChI=1S/C13H23NO2/c1-12(15)16-14-13-10-8-6-4-2-3-5-7-9-11-13/h2-11H2,1H3
InChIKeyBMWRCNMAQDYAMN-UHFFFAOYSA-N
MW225.33 g/mol
LogP3.82
Rot. Bonds1

About (cycloundecylideneamino) acetate

(cycloundecylideneamino) acetate (PubChem CID 87078754) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is (cycloundecylideneamino) acetate.

Molecular Properties

Compound Name(cycloundecylideneamino) acetate
PubChem CID87078754
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name(cycloundecylideneamino) acetate
SMILESCC(=O)ON=C1CCCCCCCCCC1
InChIInChI=1S/C13H23NO2/c1-12(15)16-14-13-10-8-6-4-2-3-5-7-9-11-13/h2-11H2,1H3
InChIKeyBMWRCNMAQDYAMN-UHFFFAOYSA-N
XLogP3.82
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (cycloundecylideneamino) acetate?
The IUPAC name of (cycloundecylideneamino) acetate (CID 87078754) is (cycloundecylideneamino) acetate.
What is the SMILES notation for (cycloundecylideneamino) acetate?
The canonical SMILES for (cycloundecylideneamino) acetate is CC(=O)ON=C1CCCCCCCCCC1.
What is the InChIKey of (cycloundecylideneamino) acetate?
The InChIKey is BMWRCNMAQDYAMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-12(15)16-14-13-10-8-6-4-2-3-5-7-9-11-13/h2-11H2,1H3.
What are the key properties of (cycloundecylideneamino) acetate?
(cycloundecylideneamino) acetate has a molecular weight of 225.33 g/mol, XLogP of 3.82, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (cycloundecylideneamino) acetate is sourced from PubChem (CID 87078754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).