3-cyclobutyl-1,3-diazepane-2,4-dione

C9H14N2O2 — CID 116658465

IUPAC3-cyclobutyl-1,3-diazepane-2,4-dione
SMILESO=C1CCCNC(=O)N1C1CCC1
InChIInChI=1S/C9H14N2O2/c12-8-5-2-6-10-9(13)11(8)7-3-1-4-7/h7H,1-6H2,(H,10,13)
InChIKeyHQUCGFZLQYCPNM-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.87
Rot. Bonds1

About 3-cyclobutyl-1,3-diazepane-2,4-dione

3-cyclobutyl-1,3-diazepane-2,4-dione (PubChem CID 116658465) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 3-cyclobutyl-1,3-diazepane-2,4-dione.

Molecular Properties

Compound Name3-cyclobutyl-1,3-diazepane-2,4-dione
PubChem CID116658465
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name3-cyclobutyl-1,3-diazepane-2,4-dione
SMILESO=C1CCCNC(=O)N1C1CCC1
InChIInChI=1S/C9H14N2O2/c12-8-5-2-6-10-9(13)11(8)7-3-1-4-7/h7H,1-6H2,(H,10,13)
InChIKeyHQUCGFZLQYCPNM-UHFFFAOYSA-N
XLogP0.87
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 80541121
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1,3-dicyclohexyl-1,3-diazepane-2,4,7-trione
CID 101192207
1-pyrrolidin-3-ylazepane-2,7-dione
CID 62329466
1-piperidin-4-ylpyrrolidine-2,5-dione;hydrochloride
CID 20556253
3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)imidazolidine-2,4-dione
CID 103936509
8-cyclopentyl-6,8-diazaspiro[3.6]decane-7,9-dione
CID 81167524
4-cyclopentyl-1,4-diazocan-5-one
CID 117015321
8-cyclobutyl-6,8-diazaspiro[4.5]decane-7,9-dione
CID 116658436
3-[1-(cyclobutanecarbonyl)azetidin-3-yl]imidazolidine-2,4-dione
CID 119099993
1-piperidin-2-ylpiperidine-2,6-dione
CID 112546401

Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-1,3-diazepane-2,4-dione?
The IUPAC name of 3-cyclobutyl-1,3-diazepane-2,4-dione (CID 116658465) is 3-cyclobutyl-1,3-diazepane-2,4-dione.
What is the SMILES notation for 3-cyclobutyl-1,3-diazepane-2,4-dione?
The canonical SMILES for 3-cyclobutyl-1,3-diazepane-2,4-dione is O=C1CCCNC(=O)N1C1CCC1.
What is the InChIKey of 3-cyclobutyl-1,3-diazepane-2,4-dione?
The InChIKey is HQUCGFZLQYCPNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c12-8-5-2-6-10-9(13)11(8)7-3-1-4-7/h7H,1-6H2,(H,10,13).
What are the key properties of 3-cyclobutyl-1,3-diazepane-2,4-dione?
3-cyclobutyl-1,3-diazepane-2,4-dione has a molecular weight of 182.22 g/mol, XLogP of 0.87, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-1,3-diazepane-2,4-dione is sourced from PubChem (CID 116658465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).