5-cyclohex-2-en-1-yl-3-iminopentan-2-one

C11H17NO — CID 163762515

IUPAC5-cyclohex-2-en-1-yl-3-iminopentan-2-one
SMILES[H]/N=C(/CCC1C=CCCC1)C(C)=O
InChIInChI=1S/C11H17NO/c1-9(13)11(12)8-7-10-5-3-2-4-6-10/h3,5,10,12H,2,4,6-8H2,1H3/b12-11-
InChIKeyLZKGAKPSGDVVRB-QXMHVHEDSA-N
MW179.26 g/mol
LogP2.73
Rot. Bonds4

About 5-cyclohex-2-en-1-yl-3-iminopentan-2-one

5-cyclohex-2-en-1-yl-3-iminopentan-2-one (PubChem CID 163762515) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 5-cyclohex-2-en-1-yl-3-iminopentan-2-one.

Molecular Properties

Compound Name5-cyclohex-2-en-1-yl-3-iminopentan-2-one
PubChem CID163762515
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name5-cyclohex-2-en-1-yl-3-iminopentan-2-one
SMILES[H]/N=C(/CCC1C=CCCC1)C(C)=O
InChIInChI=1S/C11H17NO/c1-9(13)11(12)8-7-10-5-3-2-4-6-10/h3,5,10,12H,2,4,6-8H2,1H3/b12-11-
InChIKeyLZKGAKPSGDVVRB-QXMHVHEDSA-N
XLogP2.73
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Diethylbenzoquinonimine
CID 129850744
[2-(6-Oxocyclohexa-2,4-dien-1-yl)cyclohexylidene]azanium
CID 135015036
Ethylmethylbenzoquinoneimine
CID 166174992
5-Imino-1,3,4,4a,6,8a-hexahydronaphthalen-2-one
CID 57115373
(6Z)-6-hydroxyimino-4-pentylcyclohex-2-en-1-one
CID 88025941
1-Cyclohex-3-en-1-yl-1-iminopropan-2-one
CID 89105658
1-(2-Bicyclo[4.1.0]hepta-2,4-dienyl)-1-iminopropan-2-one
CID 89336565
3-Imino-5,5-dimethyl-2-(3,6,7-trimethylideneundeca-4,8,10-trien-2-yl)cyclohexan-1-one
CID 90711489
6-Imino-2,3,4,4a,5,8a-hexahydronaphthalen-1-one
CID 90712963
5-[6-(Aminomethyl)-5-iminocyclohex-3-en-1-yl]-3-methylhexan-2-one
CID 90741095
(9E,12E)-13-ethyl-8-imino-4,9,10,15-tetramethyl-5-(3-methylbut-1-en-2-yl)hexadeca-9,12-dien-2-one
CID 90875133
2-Imino-6-methyldec-8-en-3-one
CID 90885707

Frequently Asked Questions

What is the IUPAC name of 5-cyclohex-2-en-1-yl-3-iminopentan-2-one?
The IUPAC name of 5-cyclohex-2-en-1-yl-3-iminopentan-2-one (CID 163762515) is 5-cyclohex-2-en-1-yl-3-iminopentan-2-one.
What is the SMILES notation for 5-cyclohex-2-en-1-yl-3-iminopentan-2-one?
The canonical SMILES for 5-cyclohex-2-en-1-yl-3-iminopentan-2-one is [H]/N=C(/CCC1C=CCCC1)C(C)=O.
What is the InChIKey of 5-cyclohex-2-en-1-yl-3-iminopentan-2-one?
The InChIKey is LZKGAKPSGDVVRB-QXMHVHEDSA-N. The full InChI is InChI=1S/C11H17NO/c1-9(13)11(12)8-7-10-5-3-2-4-6-10/h3,5,10,12H,2,4,6-8H2,1H3/b12-11-.
What are the key properties of 5-cyclohex-2-en-1-yl-3-iminopentan-2-one?
5-cyclohex-2-en-1-yl-3-iminopentan-2-one has a molecular weight of 179.26 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohex-2-en-1-yl-3-iminopentan-2-one is sourced from PubChem (CID 163762515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).