1-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3-ethylurea

C9H17N3O2 — CID 66196151

IUPAC1-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3-ethylurea
SMILESCCNC(=O)NC1C(N)C2CCOC21
InChIInChI=1S/C9H17N3O2/c1-2-11-9(13)12-7-6(10)5-3-4-14-8(5)7/h5-8H,2-4,10H2,1H3,(H2,11,12,13)
InChIKeyMNAPRHMQOWRYCU-UHFFFAOYSA-N
MW199.25 g/mol
LogP-0.58
Rot. Bonds2

About 1-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3-ethylurea

1-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3-ethylurea (PubChem CID 66196151) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is 1-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3-ethylurea.

Molecular Properties

Compound Name1-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3-ethylurea
PubChem CID66196151
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC Name1-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3-ethylurea
SMILESCCNC(=O)NC1C(N)C2CCOC21
InChIInChI=1S/C9H17N3O2/c1-2-11-9(13)12-7-6(10)5-3-4-14-8(5)7/h5-8H,2-4,10H2,1H3,(H2,11,12,13)
InChIKeyMNAPRHMQOWRYCU-UHFFFAOYSA-N
XLogP-0.58
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 5-0.58
H-Bond Donors ≤ 53
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)-3-ethylurea?
The IUPAC name of 1-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3-ethylurea (CID 66196151) is 1-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3-ethylurea.
What is the SMILES notation for 1-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3-ethylurea?
The canonical SMILES for 1-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3-ethylurea is CCNC(=O)NC1C(N)C2CCOC21.
What is the InChIKey of 1-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3-ethylurea?
The InChIKey is MNAPRHMQOWRYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2/c1-2-11-9(13)12-7-6(10)5-3-4-14-8(5)7/h5-8H,2-4,10H2,1H3,(H2,11,12,13).
What are the key properties of 1-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3-ethylurea?
1-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3-ethylurea has a molecular weight of 199.25 g/mol, XLogP of -0.58, 2 rotatable bonds, 3 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)-3-ethylurea is sourced from PubChem (CID 66196151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).