6-[2-(trimethylsilylmethyl)prop-2-enyl]-3-oxa-6-azabicyclo[3.1.0]hexan-2-one

C11H19NO2Si — CID 135024553

IUPAC6-[2-(trimethylsilylmethyl)prop-2-enyl]-3-oxa-6-azabicyclo[3.1.0]hexan-2-one
SMILESC=C(CN1C2COC(=O)C21)C[Si](C)(C)C
InChIInChI=1S/C11H19NO2Si/c1-8(7-15(2,3)4)5-12-9-6-14-11(13)10(9)12/h9-10H,1,5-7H2,2-4H3
InChIKeyRPLRDMHHYHMULS-UHFFFAOYSA-N
MW225.36 g/mol
LogP1.49
Rot. Bonds4

About 6-[2-(trimethylsilylmethyl)prop-2-enyl]-3-oxa-6-azabicyclo[3.1.0]hexan-2-one

6-[2-(trimethylsilylmethyl)prop-2-enyl]-3-oxa-6-azabicyclo[3.1.0]hexan-2-one (PubChem CID 135024553) has the molecular formula C11H19NO2Si and a molecular weight of 225.36 g/mol. Its IUPAC name is 6-[2-(trimethylsilylmethyl)prop-2-enyl]-3-oxa-6-azabicyclo[3.1.0]hexan-2-one.

Molecular Properties

Compound Name6-[2-(trimethylsilylmethyl)prop-2-enyl]-3-oxa-6-azabicyclo[3.1.0]hexan-2-one
PubChem CID135024553
Molecular FormulaC11H19NO2Si
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC Name6-[2-(trimethylsilylmethyl)prop-2-enyl]-3-oxa-6-azabicyclo[3.1.0]hexan-2-one
SMILESC=C(CN1C2COC(=O)C21)C[Si](C)(C)C
InChIInChI=1S/C11H19NO2Si/c1-8(7-15(2,3)4)5-12-9-6-14-11(13)10(9)12/h9-10H,1,5-7H2,2-4H3
InChIKeyRPLRDMHHYHMULS-UHFFFAOYSA-N
XLogP1.49
TPSA29.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(trimethylsilylmethyl)prop-2-enyl]-3-oxa-6-azabicyclo[3.1.0]hexan-2-one?
The IUPAC name of 6-[2-(trimethylsilylmethyl)prop-2-enyl]-3-oxa-6-azabicyclo[3.1.0]hexan-2-one (CID 135024553) is 6-[2-(trimethylsilylmethyl)prop-2-enyl]-3-oxa-6-azabicyclo[3.1.0]hexan-2-one.
What is the SMILES notation for 6-[2-(trimethylsilylmethyl)prop-2-enyl]-3-oxa-6-azabicyclo[3.1.0]hexan-2-one?
The canonical SMILES for 6-[2-(trimethylsilylmethyl)prop-2-enyl]-3-oxa-6-azabicyclo[3.1.0]hexan-2-one is C=C(CN1C2COC(=O)C21)C[Si](C)(C)C.
What is the InChIKey of 6-[2-(trimethylsilylmethyl)prop-2-enyl]-3-oxa-6-azabicyclo[3.1.0]hexan-2-one?
The InChIKey is RPLRDMHHYHMULS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2Si/c1-8(7-15(2,3)4)5-12-9-6-14-11(13)10(9)12/h9-10H,1,5-7H2,2-4H3.
What are the key properties of 6-[2-(trimethylsilylmethyl)prop-2-enyl]-3-oxa-6-azabicyclo[3.1.0]hexan-2-one?
6-[2-(trimethylsilylmethyl)prop-2-enyl]-3-oxa-6-azabicyclo[3.1.0]hexan-2-one has a molecular weight of 225.36 g/mol, XLogP of 1.49, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(trimethylsilylmethyl)prop-2-enyl]-3-oxa-6-azabicyclo[3.1.0]hexan-2-one is sourced from PubChem (CID 135024553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).