1-cyclooctyl-3-cyclopropyl-1,4-diazepane-2,5-dione

C16H26N2O2 — CID 64956962

IUPAC1-cyclooctyl-3-cyclopropyl-1,4-diazepane-2,5-dione
SMILESO=C1CCN(C2CCCCCCC2)C(=O)C(C2CC2)N1
InChIInChI=1S/C16H26N2O2/c19-14-10-11-18(13-6-4-2-1-3-5-7-13)16(20)15(17-14)12-8-9-12/h12-13,15H,1-11H2,(H,17,19)
InChIKeyLYYXJXKXIVBVRI-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.23
Rot. Bonds2

About 1-cyclooctyl-3-cyclopropyl-1,4-diazepane-2,5-dione

1-cyclooctyl-3-cyclopropyl-1,4-diazepane-2,5-dione (PubChem CID 64956962) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-cyclooctyl-3-cyclopropyl-1,4-diazepane-2,5-dione.

Molecular Properties

Compound Name1-cyclooctyl-3-cyclopropyl-1,4-diazepane-2,5-dione
PubChem CID64956962
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name1-cyclooctyl-3-cyclopropyl-1,4-diazepane-2,5-dione
SMILESO=C1CCN(C2CCCCCCC2)C(=O)C(C2CC2)N1
InChIInChI=1S/C16H26N2O2/c19-14-10-11-18(13-6-4-2-1-3-5-7-13)16(20)15(17-14)12-8-9-12/h12-13,15H,1-11H2,(H,17,19)
InChIKeyLYYXJXKXIVBVRI-UHFFFAOYSA-N
XLogP2.23
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclooctyl-3-cyclopropyl-1,4-diazepane-2,5-dione?
The IUPAC name of 1-cyclooctyl-3-cyclopropyl-1,4-diazepane-2,5-dione (CID 64956962) is 1-cyclooctyl-3-cyclopropyl-1,4-diazepane-2,5-dione.
What is the SMILES notation for 1-cyclooctyl-3-cyclopropyl-1,4-diazepane-2,5-dione?
The canonical SMILES for 1-cyclooctyl-3-cyclopropyl-1,4-diazepane-2,5-dione is O=C1CCN(C2CCCCCCC2)C(=O)C(C2CC2)N1.
What is the InChIKey of 1-cyclooctyl-3-cyclopropyl-1,4-diazepane-2,5-dione?
The InChIKey is LYYXJXKXIVBVRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c19-14-10-11-18(13-6-4-2-1-3-5-7-13)16(20)15(17-14)12-8-9-12/h12-13,15H,1-11H2,(H,17,19).
What are the key properties of 1-cyclooctyl-3-cyclopropyl-1,4-diazepane-2,5-dione?
1-cyclooctyl-3-cyclopropyl-1,4-diazepane-2,5-dione has a molecular weight of 278.40 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclooctyl-3-cyclopropyl-1,4-diazepane-2,5-dione is sourced from PubChem (CID 64956962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).