(5S)-3-ethyl-2-methyl-4-oxa-1-azabicyclo[3.2.0]hept-2-en-7-one

C8H11NO2 — CID 57292376

IUPAC(5S)-3-ethyl-2-methyl-4-oxa-1-azabicyclo[3.2.0]hept-2-en-7-one
SMILESCCC1=C(C)N2C(=O)C[C@@H]2O1
InChIInChI=1S/C8H11NO2/c1-3-6-5(2)9-7(10)4-8(9)11-6/h8H,3-4H2,1-2H3/t8-/m0/s1
InChIKeyWVUMOSDYZXQXRN-QMMMGPOBSA-N
MW153.18 g/mol
LogP1.22
Rot. Bonds1

About (5S)-3-ethyl-2-methyl-4-oxa-1-azabicyclo[3.2.0]hept-2-en-7-one

(5S)-3-ethyl-2-methyl-4-oxa-1-azabicyclo[3.2.0]hept-2-en-7-one (PubChem CID 57292376) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is (5S)-3-ethyl-2-methyl-4-oxa-1-azabicyclo[3.2.0]hept-2-en-7-one.

Molecular Properties

Compound Name(5S)-3-ethyl-2-methyl-4-oxa-1-azabicyclo[3.2.0]hept-2-en-7-one
PubChem CID57292376
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name(5S)-3-ethyl-2-methyl-4-oxa-1-azabicyclo[3.2.0]hept-2-en-7-one
SMILESCCC1=C(C)N2C(=O)C[C@@H]2O1
InChIInChI=1S/C8H11NO2/c1-3-6-5(2)9-7(10)4-8(9)11-6/h8H,3-4H2,1-2H3/t8-/m0/s1
InChIKeyWVUMOSDYZXQXRN-QMMMGPOBSA-N
XLogP1.22
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5S)-3-ethyl-2-methyl-4-oxa-1-azabicyclo[3.2.0]hept-2-en-7-one?
The IUPAC name of (5S)-3-ethyl-2-methyl-4-oxa-1-azabicyclo[3.2.0]hept-2-en-7-one (CID 57292376) is (5S)-3-ethyl-2-methyl-4-oxa-1-azabicyclo[3.2.0]hept-2-en-7-one.
What is the SMILES notation for (5S)-3-ethyl-2-methyl-4-oxa-1-azabicyclo[3.2.0]hept-2-en-7-one?
The canonical SMILES for (5S)-3-ethyl-2-methyl-4-oxa-1-azabicyclo[3.2.0]hept-2-en-7-one is CCC1=C(C)N2C(=O)C[C@@H]2O1.
What is the InChIKey of (5S)-3-ethyl-2-methyl-4-oxa-1-azabicyclo[3.2.0]hept-2-en-7-one?
The InChIKey is WVUMOSDYZXQXRN-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H11NO2/c1-3-6-5(2)9-7(10)4-8(9)11-6/h8H,3-4H2,1-2H3/t8-/m0/s1.
What are the key properties of (5S)-3-ethyl-2-methyl-4-oxa-1-azabicyclo[3.2.0]hept-2-en-7-one?
(5S)-3-ethyl-2-methyl-4-oxa-1-azabicyclo[3.2.0]hept-2-en-7-one has a molecular weight of 153.18 g/mol, XLogP of 1.22, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-ethyl-2-methyl-4-oxa-1-azabicyclo[3.2.0]hept-2-en-7-one is sourced from PubChem (CID 57292376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).