4-iminobicyclo[4.2.0]oct-5-en-7-one

C8H9NO — CID 57029178

IUPAC4-iminobicyclo[4.2.0]oct-5-en-7-one
SMILES[H]/N=C1/C=C2C(=O)CC2CC1
InChIInChI=1S/C8H9NO/c9-6-2-1-5-3-8(10)7(5)4-6/h4-5,9H,1-3H2/b9-6+
InChIKeyFLVJHTDXKLIVMM-RMKNXTFCSA-N
MW135.17 g/mol
LogP1.32
Rot. Bonds

About 4-iminobicyclo[4.2.0]oct-5-en-7-one

4-iminobicyclo[4.2.0]oct-5-en-7-one (PubChem CID 57029178) has the molecular formula C8H9NO and a molecular weight of 135.17 g/mol. Its IUPAC name is 4-iminobicyclo[4.2.0]oct-5-en-7-one.

Molecular Properties

Compound Name4-iminobicyclo[4.2.0]oct-5-en-7-one
PubChem CID57029178
Molecular FormulaC8H9NO
Molecular Weight135.17 g/mol
Exact Mass135.07
IUPAC Name4-iminobicyclo[4.2.0]oct-5-en-7-one
SMILES[H]/N=C1/C=C2C(=O)CC2CC1
InChIInChI=1S/C8H9NO/c9-6-2-1-5-3-8(10)7(5)4-6/h4-5,9H,1-3H2/b9-6+
InChIKeyFLVJHTDXKLIVMM-RMKNXTFCSA-N
XLogP1.32
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.17
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3,5-Dimethyl-1,4-benzoquinonimine
CID 129743105
Diethylbenzoquinonimine
CID 129850744
Ethylmethylbenzoquinoneimine
CID 166174992
4-Imino-2,6-dimethylcyclohex-2-en-1-one
CID 178244250
4,6-Diimino-3,5-dimethylcyclohex-2-en-1-one
CID 57207871
(2Z)-8-imino-7-methylcyclooct-2-en-1-one
CID 123871733
4-Imino-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one
CID 139898282
4-Imino-2,3,6-trimethylcyclohex-2-en-1-one
CID 160225761
4-imino-2,5,6-trimethyl-3-[(E)-3-methylhex-2-enyl]cyclohex-2-en-1-one
CID 163456522
3-Butanimidoylcyclohex-2-en-1-one
CID 174625898

Frequently Asked Questions

What is the IUPAC name of 4-iminobicyclo[4.2.0]oct-5-en-7-one?
The IUPAC name of 4-iminobicyclo[4.2.0]oct-5-en-7-one (CID 57029178) is 4-iminobicyclo[4.2.0]oct-5-en-7-one.
What is the SMILES notation for 4-iminobicyclo[4.2.0]oct-5-en-7-one?
The canonical SMILES for 4-iminobicyclo[4.2.0]oct-5-en-7-one is [H]/N=C1/C=C2C(=O)CC2CC1.
What is the InChIKey of 4-iminobicyclo[4.2.0]oct-5-en-7-one?
The InChIKey is FLVJHTDXKLIVMM-RMKNXTFCSA-N. The full InChI is InChI=1S/C8H9NO/c9-6-2-1-5-3-8(10)7(5)4-6/h4-5,9H,1-3H2/b9-6+.
What are the key properties of 4-iminobicyclo[4.2.0]oct-5-en-7-one?
4-iminobicyclo[4.2.0]oct-5-en-7-one has a molecular weight of 135.17 g/mol, XLogP of 1.32, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iminobicyclo[4.2.0]oct-5-en-7-one is sourced from PubChem (CID 57029178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).