4-propyl-14-oxa-3-azabicyclo[10.2.0]tetradecan-13-one

C15H27NO2 — CID 19780553

IUPAC4-propyl-14-oxa-3-azabicyclo[10.2.0]tetradecan-13-one
SMILESCCCC1CCCCCCCC2C(=O)OC2CN1
InChIInChI=1S/C15H27NO2/c1-2-8-12-9-6-4-3-5-7-10-13-14(11-16-12)18-15(13)17/h12-14,16H,2-11H2,1H3
InChIKeyFZUAKSNGAADMNH-UHFFFAOYSA-N
MW253.39 g/mol
LogP3.03
Rot. Bonds2

About 4-propyl-14-oxa-3-azabicyclo[10.2.0]tetradecan-13-one

4-propyl-14-oxa-3-azabicyclo[10.2.0]tetradecan-13-one (PubChem CID 19780553) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is 4-propyl-14-oxa-3-azabicyclo[10.2.0]tetradecan-13-one.

Molecular Properties

Compound Name4-propyl-14-oxa-3-azabicyclo[10.2.0]tetradecan-13-one
PubChem CID19780553
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name4-propyl-14-oxa-3-azabicyclo[10.2.0]tetradecan-13-one
SMILESCCCC1CCCCCCCC2C(=O)OC2CN1
InChIInChI=1S/C15H27NO2/c1-2-8-12-9-6-4-3-5-7-10-13-14(11-16-12)18-15(13)17/h12-14,16H,2-11H2,1H3
InChIKeyFZUAKSNGAADMNH-UHFFFAOYSA-N
XLogP3.03
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-propyl-14-oxa-3-azabicyclo[10.2.0]tetradecan-13-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 4-propyl-14-oxa-3-azabicyclo[10.2.0]tetradecan-13-one?
The IUPAC name of 4-propyl-14-oxa-3-azabicyclo[10.2.0]tetradecan-13-one (CID 19780553) is 4-propyl-14-oxa-3-azabicyclo[10.2.0]tetradecan-13-one.
What is the SMILES notation for 4-propyl-14-oxa-3-azabicyclo[10.2.0]tetradecan-13-one?
The canonical SMILES for 4-propyl-14-oxa-3-azabicyclo[10.2.0]tetradecan-13-one is CCCC1CCCCCCCC2C(=O)OC2CN1.
What is the InChIKey of 4-propyl-14-oxa-3-azabicyclo[10.2.0]tetradecan-13-one?
The InChIKey is FZUAKSNGAADMNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-2-8-12-9-6-4-3-5-7-10-13-14(11-16-12)18-15(13)17/h12-14,16H,2-11H2,1H3.
What are the key properties of 4-propyl-14-oxa-3-azabicyclo[10.2.0]tetradecan-13-one?
4-propyl-14-oxa-3-azabicyclo[10.2.0]tetradecan-13-one has a molecular weight of 253.39 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-14-oxa-3-azabicyclo[10.2.0]tetradecan-13-one is sourced from PubChem (CID 19780553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).