(6S)-7-propan-2-ylidene-3-oxa-1-azabicyclo[4.1.0]heptan-2-one

C8H11NO2 — CID 102448101

IUPAC(6S)-7-propan-2-ylidene-3-oxa-1-azabicyclo[4.1.0]heptan-2-one
SMILESCC(C)=C1[C@@H]2CCOC(=O)N12
InChIInChI=1S/C8H11NO2/c1-5(2)7-6-3-4-11-8(10)9(6)7/h6H,3-4H2,1-2H3/t6-,9?/m0/s1
InChIKeyUUICZESLOYJNNT-AADKRJSRSA-N
MW153.18 g/mol
LogP1.50
Rot. Bonds

About (6S)-7-propan-2-ylidene-3-oxa-1-azabicyclo[4.1.0]heptan-2-one

(6S)-7-propan-2-ylidene-3-oxa-1-azabicyclo[4.1.0]heptan-2-one (PubChem CID 102448101) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is (6S)-7-propan-2-ylidene-3-oxa-1-azabicyclo[4.1.0]heptan-2-one.

Molecular Properties

Compound Name(6S)-7-propan-2-ylidene-3-oxa-1-azabicyclo[4.1.0]heptan-2-one
PubChem CID102448101
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name(6S)-7-propan-2-ylidene-3-oxa-1-azabicyclo[4.1.0]heptan-2-one
SMILESCC(C)=C1[C@@H]2CCOC(=O)N12
InChIInChI=1S/C8H11NO2/c1-5(2)7-6-3-4-11-8(10)9(6)7/h6H,3-4H2,1-2H3/t6-,9?/m0/s1
InChIKeyUUICZESLOYJNNT-AADKRJSRSA-N
XLogP1.50
TPSA29.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

7-butan-2-ylidene-3-oxa-1-azabicyclo[4.1.0]heptan-2-one
CID 123832254
(7E)-7-(2,2-dimethylpropylidene)-3-oxa-1-azabicyclo[4.1.0]heptan-2-one
CID 118600706
(6S,7E)-7-hexylidene-3-oxa-1-azabicyclo[4.1.0]heptan-2-one
CID 102448109
4-(2-hydroxyethyl)-3-methyl-1,3-oxazinan-2-one
CID 117011328
4-(2-hydroxyphenyl)-3-methyl-1,3-oxazinan-2-one
CID 105460035
2-oxo-3-phenyl-1,3-oxazinane-4-carboxylic acid
CID 83849659
(4aR,7aR)-6-propan-2-ylidene-3,4,4a,5,7,7a-hexahydrocyclopenta[c]pyran-1-one
CID 22215760
3-(3-aminoazetidin-1-yl)oxolan-2-one
CID 65250013
4-(hydroxymethyl)-3-(4-propan-2-ylphenyl)-1,3-oxazinan-2-one
CID 117011448
(3R,4S)-4-hydroxy-3-methyloxan-2-one
CID 10654248
methyl 3-(4-chlorophenyl)-2-oxo-1,3-oxazinane-4-carboxylate
CID 24976381
3,4-dimethyloxan-2-one
CID 13200721

Frequently Asked Questions

What is the IUPAC name of (6S)-7-propan-2-ylidene-3-oxa-1-azabicyclo[4.1.0]heptan-2-one?
The IUPAC name of (6S)-7-propan-2-ylidene-3-oxa-1-azabicyclo[4.1.0]heptan-2-one (CID 102448101) is (6S)-7-propan-2-ylidene-3-oxa-1-azabicyclo[4.1.0]heptan-2-one.
What is the SMILES notation for (6S)-7-propan-2-ylidene-3-oxa-1-azabicyclo[4.1.0]heptan-2-one?
The canonical SMILES for (6S)-7-propan-2-ylidene-3-oxa-1-azabicyclo[4.1.0]heptan-2-one is CC(C)=C1[C@@H]2CCOC(=O)N12.
What is the InChIKey of (6S)-7-propan-2-ylidene-3-oxa-1-azabicyclo[4.1.0]heptan-2-one?
The InChIKey is UUICZESLOYJNNT-AADKRJSRSA-N. The full InChI is InChI=1S/C8H11NO2/c1-5(2)7-6-3-4-11-8(10)9(6)7/h6H,3-4H2,1-2H3/t6-,9?/m0/s1.
What are the key properties of (6S)-7-propan-2-ylidene-3-oxa-1-azabicyclo[4.1.0]heptan-2-one?
(6S)-7-propan-2-ylidene-3-oxa-1-azabicyclo[4.1.0]heptan-2-one has a molecular weight of 153.18 g/mol, XLogP of 1.50, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-7-propan-2-ylidene-3-oxa-1-azabicyclo[4.1.0]heptan-2-one is sourced from PubChem (CID 102448101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).