1-prop-2-enoyl-azacyclotridecan-2-one

C15H25NO2 — CID 18761688

IUPAC1-prop-2-enoyl-azacyclotridecan-2-one
SMILESC=CC(=O)N1CCCCCCCCCCCC1=O
InChIInChI=1S/C15H25NO2/c1-2-14(17)16-13-11-9-7-5-3-4-6-8-10-12-15(16)18/h2H,1,3-13H2
InChIKeyIWPCAQURVLGNOD-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.44
Rot. Bonds1

About 1-prop-2-enoyl-azacyclotridecan-2-one

1-prop-2-enoyl-azacyclotridecan-2-one (PubChem CID 18761688) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-prop-2-enoyl-azacyclotridecan-2-one.

Molecular Properties

Compound Name1-prop-2-enoyl-azacyclotridecan-2-one
PubChem CID18761688
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name1-prop-2-enoyl-azacyclotridecan-2-one
SMILESC=CC(=O)N1CCCCCCCCCCCC1=O
InChIInChI=1S/C15H25NO2/c1-2-14(17)16-13-11-9-7-5-3-4-6-8-10-12-15(16)18/h2H,1,3-13H2
InChIKeyIWPCAQURVLGNOD-UHFFFAOYSA-N
XLogP3.44
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enoyl-azacyclotridecan-2-one?
The IUPAC name of 1-prop-2-enoyl-azacyclotridecan-2-one (CID 18761688) is 1-prop-2-enoyl-azacyclotridecan-2-one.
What is the SMILES notation for 1-prop-2-enoyl-azacyclotridecan-2-one?
The canonical SMILES for 1-prop-2-enoyl-azacyclotridecan-2-one is C=CC(=O)N1CCCCCCCCCCCC1=O.
What is the InChIKey of 1-prop-2-enoyl-azacyclotridecan-2-one?
The InChIKey is IWPCAQURVLGNOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-2-14(17)16-13-11-9-7-5-3-4-6-8-10-12-15(16)18/h2H,1,3-13H2.
What are the key properties of 1-prop-2-enoyl-azacyclotridecan-2-one?
1-prop-2-enoyl-azacyclotridecan-2-one has a molecular weight of 251.37 g/mol, XLogP of 3.44, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enoyl-azacyclotridecan-2-one is sourced from PubChem (CID 18761688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).