1-(3-oxocyclopenten-1-yl)-1,4-diazepan-5-one

C10H14N2O2 — CID 104787901

IUPAC1-(3-oxocyclopenten-1-yl)-1,4-diazepan-5-one
SMILESO=C1C=C(N2CCNC(=O)CC2)CC1
InChIInChI=1S/C10H14N2O2/c13-9-2-1-8(7-9)12-5-3-10(14)11-4-6-12/h7H,1-6H2,(H,11,14)
InChIKeyDULCYTOLANAPFS-UHFFFAOYSA-N
MW194.23 g/mol
LogP0.06
Rot. Bonds1

About 1-(3-oxocyclopenten-1-yl)-1,4-diazepan-5-one

1-(3-oxocyclopenten-1-yl)-1,4-diazepan-5-one (PubChem CID 104787901) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 1-(3-oxocyclopenten-1-yl)-1,4-diazepan-5-one.

Molecular Properties

Compound Name1-(3-oxocyclopenten-1-yl)-1,4-diazepan-5-one
PubChem CID104787901
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name1-(3-oxocyclopenten-1-yl)-1,4-diazepan-5-one
SMILESO=C1C=C(N2CCNC(=O)CC2)CC1
InChIInChI=1S/C10H14N2O2/c13-9-2-1-8(7-9)12-5-3-10(14)11-4-6-12/h7H,1-6H2,(H,11,14)
InChIKeyDULCYTOLANAPFS-UHFFFAOYSA-N
XLogP0.06
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-oxocyclopenten-1-yl)-1,4-diazepan-5-one?
The IUPAC name of 1-(3-oxocyclopenten-1-yl)-1,4-diazepan-5-one (CID 104787901) is 1-(3-oxocyclopenten-1-yl)-1,4-diazepan-5-one.
What is the SMILES notation for 1-(3-oxocyclopenten-1-yl)-1,4-diazepan-5-one?
The canonical SMILES for 1-(3-oxocyclopenten-1-yl)-1,4-diazepan-5-one is O=C1C=C(N2CCNC(=O)CC2)CC1.
What is the InChIKey of 1-(3-oxocyclopenten-1-yl)-1,4-diazepan-5-one?
The InChIKey is DULCYTOLANAPFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c13-9-2-1-8(7-9)12-5-3-10(14)11-4-6-12/h7H,1-6H2,(H,11,14).
What are the key properties of 1-(3-oxocyclopenten-1-yl)-1,4-diazepan-5-one?
1-(3-oxocyclopenten-1-yl)-1,4-diazepan-5-one has a molecular weight of 194.23 g/mol, XLogP of 0.06, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-oxocyclopenten-1-yl)-1,4-diazepan-5-one is sourced from PubChem (CID 104787901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).