2-ethyl-4-imino-3-methylcyclobut-2-en-1-one

C7H9NO — CID 146706340

IUPAC2-ethyl-4-imino-3-methylcyclobut-2-en-1-one
SMILES[H]/N=c1\c(C)c(CC)c1=O
InChIInChI=1S/C7H9NO/c1-3-5-4(2)6(8)7(5)9/h8H,3H2,1-2H3/b8-6+
InChIKeyQYOOOPDSJBIMGN-SOFGYWHQSA-N
MW123.15 g/mol
LogP0.27
Rot. Bonds1

About 2-ethyl-4-imino-3-methylcyclobut-2-en-1-one

2-ethyl-4-imino-3-methylcyclobut-2-en-1-one (PubChem CID 146706340) has the molecular formula C7H9NO and a molecular weight of 123.15 g/mol. Its IUPAC name is 2-ethyl-4-imino-3-methylcyclobut-2-en-1-one.

Molecular Properties

Compound Name2-ethyl-4-imino-3-methylcyclobut-2-en-1-one
PubChem CID146706340
Molecular FormulaC7H9NO
Molecular Weight123.15 g/mol
Exact Mass123.07
IUPAC Name2-ethyl-4-imino-3-methylcyclobut-2-en-1-one
SMILES[H]/N=c1\c(C)c(CC)c1=O
InChIInChI=1S/C7H9NO/c1-3-5-4(2)6(8)7(5)9/h8H,3H2,1-2H3/b8-6+
InChIKeyQYOOOPDSJBIMGN-SOFGYWHQSA-N
XLogP0.27
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.15
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-ethyl-4-imino-3-methylcyclobut-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-imino-3-methylcyclobut-2-en-1-one?
The IUPAC name of 2-ethyl-4-imino-3-methylcyclobut-2-en-1-one (CID 146706340) is 2-ethyl-4-imino-3-methylcyclobut-2-en-1-one.
What is the SMILES notation for 2-ethyl-4-imino-3-methylcyclobut-2-en-1-one?
The canonical SMILES for 2-ethyl-4-imino-3-methylcyclobut-2-en-1-one is [H]/N=c1\c(C)c(CC)c1=O.
What is the InChIKey of 2-ethyl-4-imino-3-methylcyclobut-2-en-1-one?
The InChIKey is QYOOOPDSJBIMGN-SOFGYWHQSA-N. The full InChI is InChI=1S/C7H9NO/c1-3-5-4(2)6(8)7(5)9/h8H,3H2,1-2H3/b8-6+.
What are the key properties of 2-ethyl-4-imino-3-methylcyclobut-2-en-1-one?
2-ethyl-4-imino-3-methylcyclobut-2-en-1-one has a molecular weight of 123.15 g/mol, XLogP of 0.27, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-imino-3-methylcyclobut-2-en-1-one is sourced from PubChem (CID 146706340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).