2,3,4-trimethyl-6-propan-2-yl-1-azabicyclo[3.2.0]hept-2-en-7-one

C12H19NO — CID 20760820

IUPAC2,3,4-trimethyl-6-propan-2-yl-1-azabicyclo[3.2.0]hept-2-en-7-one
SMILESCC1=C(C)N2C(=O)C(C(C)C)C2C1C
InChIInChI=1S/C12H19NO/c1-6(2)10-11-8(4)7(3)9(5)13(11)12(10)14/h6,8,10-11H,1-5H3
InChIKeyFEBWKMMFSGJVPR-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.41
Rot. Bonds1

About 2,3,4-trimethyl-6-propan-2-yl-1-azabicyclo[3.2.0]hept-2-en-7-one

2,3,4-trimethyl-6-propan-2-yl-1-azabicyclo[3.2.0]hept-2-en-7-one (PubChem CID 20760820) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 2,3,4-trimethyl-6-propan-2-yl-1-azabicyclo[3.2.0]hept-2-en-7-one.

Molecular Properties

Compound Name2,3,4-trimethyl-6-propan-2-yl-1-azabicyclo[3.2.0]hept-2-en-7-one
PubChem CID20760820
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name2,3,4-trimethyl-6-propan-2-yl-1-azabicyclo[3.2.0]hept-2-en-7-one
SMILESCC1=C(C)N2C(=O)C(C(C)C)C2C1C
InChIInChI=1S/C12H19NO/c1-6(2)10-11-8(4)7(3)9(5)13(11)12(10)14/h6,8,10-11H,1-5H3
InChIKeyFEBWKMMFSGJVPR-UHFFFAOYSA-N
XLogP2.41
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3,4-trimethyl-6-propan-2-yl-1-azabicyclo[3.2.0]hept-2-en-7-one?
The IUPAC name of 2,3,4-trimethyl-6-propan-2-yl-1-azabicyclo[3.2.0]hept-2-en-7-one (CID 20760820) is 2,3,4-trimethyl-6-propan-2-yl-1-azabicyclo[3.2.0]hept-2-en-7-one.
What is the SMILES notation for 2,3,4-trimethyl-6-propan-2-yl-1-azabicyclo[3.2.0]hept-2-en-7-one?
The canonical SMILES for 2,3,4-trimethyl-6-propan-2-yl-1-azabicyclo[3.2.0]hept-2-en-7-one is CC1=C(C)N2C(=O)C(C(C)C)C2C1C.
What is the InChIKey of 2,3,4-trimethyl-6-propan-2-yl-1-azabicyclo[3.2.0]hept-2-en-7-one?
The InChIKey is FEBWKMMFSGJVPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-6(2)10-11-8(4)7(3)9(5)13(11)12(10)14/h6,8,10-11H,1-5H3.
What are the key properties of 2,3,4-trimethyl-6-propan-2-yl-1-azabicyclo[3.2.0]hept-2-en-7-one?
2,3,4-trimethyl-6-propan-2-yl-1-azabicyclo[3.2.0]hept-2-en-7-one has a molecular weight of 193.29 g/mol, XLogP of 2.41, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trimethyl-6-propan-2-yl-1-azabicyclo[3.2.0]hept-2-en-7-one is sourced from PubChem (CID 20760820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).