(6E)-6-ethylidene-2-methyl-1-azabicyclo[3.2.0]hept-2-en-7-one;methane

C10H15NO — CID 158698492

IUPAC(6E)-6-ethylidene-2-methyl-1-azabicyclo[3.2.0]hept-2-en-7-one;methane
SMILESC.C/C=C1/C(=O)N2C(C)=CCC12
InChIInChI=1S/C9H11NO.CH4/c1-3-7-8-5-4-6(2)10(8)9(7)11;/h3-4,8H,5H2,1-2H3;1H4/b7-3+;
InChIKeyIHFXHHAKMQMPBX-CDQVLDCRSA-N
MW165.24 g/mol
LogP2.09
Rot. Bonds

About (6E)-6-ethylidene-2-methyl-1-azabicyclo[3.2.0]hept-2-en-7-one;methane

(6E)-6-ethylidene-2-methyl-1-azabicyclo[3.2.0]hept-2-en-7-one;methane (PubChem CID 158698492) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is (6E)-6-ethylidene-2-methyl-1-azabicyclo[3.2.0]hept-2-en-7-one;methane.

Molecular Properties

Compound Name(6E)-6-ethylidene-2-methyl-1-azabicyclo[3.2.0]hept-2-en-7-one;methane
PubChem CID158698492
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name(6E)-6-ethylidene-2-methyl-1-azabicyclo[3.2.0]hept-2-en-7-one;methane
SMILESC.C/C=C1/C(=O)N2C(C)=CCC12
InChIInChI=1S/C9H11NO.CH4/c1-3-7-8-5-4-6(2)10(8)9(7)11;/h3-4,8H,5H2,1-2H3;1H4/b7-3+;
InChIKeyIHFXHHAKMQMPBX-CDQVLDCRSA-N
XLogP2.09
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 (6E)-6-ethylidene-2-methyl-1-azabicyclo[3.2.0]hept-2-en-7-one;methane?
The IUPAC name of (6E)-6-ethylidene-2-methyl-1-azabicyclo[3.2.0]hept-2-en-7-one;methane (CID 158698492) is (6E)-6-ethylidene-2-methyl-1-azabicyclo[3.2.0]hept-2-en-7-one;methane.
What is the SMILES notation for (6E)-6-ethylidene-2-methyl-1-azabicyclo[3.2.0]hept-2-en-7-one;methane?
The canonical SMILES for (6E)-6-ethylidene-2-methyl-1-azabicyclo[3.2.0]hept-2-en-7-one;methane is C.C/C=C1/C(=O)N2C(C)=CCC12.
What is the InChIKey of (6E)-6-ethylidene-2-methyl-1-azabicyclo[3.2.0]hept-2-en-7-one;methane?
The InChIKey is IHFXHHAKMQMPBX-CDQVLDCRSA-N. The full InChI is InChI=1S/C9H11NO.CH4/c1-3-7-8-5-4-6(2)10(8)9(7)11;/h3-4,8H,5H2,1-2H3;1H4/b7-3+;.
What are the key properties of (6E)-6-ethylidene-2-methyl-1-azabicyclo[3.2.0]hept-2-en-7-one;methane?
(6E)-6-ethylidene-2-methyl-1-azabicyclo[3.2.0]hept-2-en-7-one;methane has a molecular weight of 165.24 g/mol, XLogP of 2.09, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-6-ethylidene-2-methyl-1-azabicyclo[3.2.0]hept-2-en-7-one;methane is sourced from PubChem (CID 158698492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).