N-[1-(6,6-dimethyl-3-oxo-2-bicyclo[3.1.0]hexanylidene)ethyl]acetamide

C12H17NO2 — CID 3831145

IUPACN-[1-(6,6-dimethyl-3-oxo-2-bicyclo[3.1.0]hexanylidene)ethyl]acetamide
SMILESCC(=O)NC(C)=C1C(=O)CC2C1C2(C)C
InChIInChI=1S/C12H17NO2/c1-6(13-7(2)14)10-9(15)5-8-11(10)12(8,3)4/h8,11H,5H2,1-4H3,(H,13,14)
InChIKeyHBRUIULKBDKADW-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.64
Rot. Bonds1

About N-[1-(6,6-dimethyl-3-oxo-2-bicyclo[3.1.0]hexanylidene)ethyl]acetamide

N-[1-(6,6-dimethyl-3-oxo-2-bicyclo[3.1.0]hexanylidene)ethyl]acetamide (PubChem CID 3831145) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is N-[1-(6,6-dimethyl-3-oxo-2-bicyclo[3.1.0]hexanylidene)ethyl]acetamide.

Molecular Properties

Compound NameN-[1-(6,6-dimethyl-3-oxo-2-bicyclo[3.1.0]hexanylidene)ethyl]acetamide
PubChem CID3831145
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC NameN-[1-(6,6-dimethyl-3-oxo-2-bicyclo[3.1.0]hexanylidene)ethyl]acetamide
SMILESCC(=O)NC(C)=C1C(=O)CC2C1C2(C)C
InChIInChI=1S/C12H17NO2/c1-6(13-7(2)14)10-9(15)5-8-11(10)12(8,3)4/h8,11H,5H2,1-4H3,(H,13,14)
InChIKeyHBRUIULKBDKADW-UHFFFAOYSA-N
XLogP1.64
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-(6,6-dimethyl-3-oxo-2-bicyclo[3.1.0]hexanylidene)ethyl]acetamide?
The IUPAC name of N-[1-(6,6-dimethyl-3-oxo-2-bicyclo[3.1.0]hexanylidene)ethyl]acetamide (CID 3831145) is N-[1-(6,6-dimethyl-3-oxo-2-bicyclo[3.1.0]hexanylidene)ethyl]acetamide.
What is the SMILES notation for N-[1-(6,6-dimethyl-3-oxo-2-bicyclo[3.1.0]hexanylidene)ethyl]acetamide?
The canonical SMILES for N-[1-(6,6-dimethyl-3-oxo-2-bicyclo[3.1.0]hexanylidene)ethyl]acetamide is CC(=O)NC(C)=C1C(=O)CC2C1C2(C)C.
What is the InChIKey of N-[1-(6,6-dimethyl-3-oxo-2-bicyclo[3.1.0]hexanylidene)ethyl]acetamide?
The InChIKey is HBRUIULKBDKADW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-6(13-7(2)14)10-9(15)5-8-11(10)12(8,3)4/h8,11H,5H2,1-4H3,(H,13,14).
What are the key properties of N-[1-(6,6-dimethyl-3-oxo-2-bicyclo[3.1.0]hexanylidene)ethyl]acetamide?
N-[1-(6,6-dimethyl-3-oxo-2-bicyclo[3.1.0]hexanylidene)ethyl]acetamide has a molecular weight of 207.27 g/mol, XLogP of 1.64, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6,6-dimethyl-3-oxo-2-bicyclo[3.1.0]hexanylidene)ethyl]acetamide is sourced from PubChem (CID 3831145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).