1-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)imidazolidin-2-one

C9H15N3O2 — CID 66211516

IUPAC1-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)imidazolidin-2-one
SMILESNC1C2CCOC2C1N1CCNC1=O
InChIInChI=1S/C9H15N3O2/c10-6-5-1-4-14-8(5)7(6)12-3-2-11-9(12)13/h5-8H,1-4,10H2,(H,11,13)
InChIKeyRTBPFKDJIMIQGF-UHFFFAOYSA-N
MW197.24 g/mol
LogP-0.87
Rot. Bonds1

About 1-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)imidazolidin-2-one

1-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)imidazolidin-2-one (PubChem CID 66211516) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 1-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)imidazolidin-2-one.

Molecular Properties

Compound Name1-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)imidazolidin-2-one
PubChem CID66211516
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name1-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)imidazolidin-2-one
SMILESNC1C2CCOC2C1N1CCNC1=O
InChIInChI=1S/C9H15N3O2/c10-6-5-1-4-14-8(5)7(6)12-3-2-11-9(12)13/h5-8H,1-4,10H2,(H,11,13)
InChIKeyRTBPFKDJIMIQGF-UHFFFAOYSA-N
XLogP-0.87
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-0.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)imidazolidin-2-one?
The IUPAC name of 1-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)imidazolidin-2-one (CID 66211516) is 1-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)imidazolidin-2-one.
What is the SMILES notation for 1-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)imidazolidin-2-one?
The canonical SMILES for 1-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)imidazolidin-2-one is NC1C2CCOC2C1N1CCNC1=O.
What is the InChIKey of 1-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)imidazolidin-2-one?
The InChIKey is RTBPFKDJIMIQGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c10-6-5-1-4-14-8(5)7(6)12-3-2-11-9(12)13/h5-8H,1-4,10H2,(H,11,13).
What are the key properties of 1-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)imidazolidin-2-one?
1-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)imidazolidin-2-one has a molecular weight of 197.24 g/mol, XLogP of -0.87, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)imidazolidin-2-one is sourced from PubChem (CID 66211516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).