ethane;2-methanimidoylcyclohex-2-en-1-one

C9H15NO — CID 144801259

IUPACethane;2-methanimidoylcyclohex-2-en-1-one
SMILESCC.[H]/N=C/C1=CCCCC1=O
InChIInChI=1S/C7H9NO.C2H6/c8-5-6-3-1-2-4-7(6)9;1-2/h3,5,8H,1-2,4H2;1-2H3/b8-5+;
InChIKeyQWIHHENWNLEULD-HAAWTFQLSA-N
MW153.22 g/mol
LogP2.34
Rot. Bonds1

About ethane;2-methanimidoylcyclohex-2-en-1-one

ethane;2-methanimidoylcyclohex-2-en-1-one (PubChem CID 144801259) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is ethane;2-methanimidoylcyclohex-2-en-1-one.

Molecular Properties

Compound Nameethane;2-methanimidoylcyclohex-2-en-1-one
PubChem CID144801259
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Nameethane;2-methanimidoylcyclohex-2-en-1-one
SMILESCC.[H]/N=C/C1=CCCCC1=O
InChIInChI=1S/C7H9NO.C2H6/c8-5-6-3-1-2-4-7(6)9;1-2/h3,5,8H,1-2,4H2;1-2H3/b8-5+;
InChIKeyQWIHHENWNLEULD-HAAWTFQLSA-N
XLogP2.34
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 52.34
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

2-Imino-1-(2-methylcyclohexen-1-yl)ethanone
CID 56626908
1-Methylimino-4-propyloct-4-en-3-one
CID 123567511
(E)-3-methanimidoyl-5-methylhept-3-en-2-one
CID 123648292
10-Imino-6-methyldec-5-en-4-one
CID 123802589
(Z)-4-methanimidoyl-2-methylhex-4-en-3-one
CID 132197080
(E)-4-methanimidoyl-2-methylhex-4-en-3-one
CID 142471197
(E)-3-(methyliminomethyl)oct-2-en-4-one
CID 156480019
(E)-3-(methyliminomethyl)hept-2-en-4-one
CID 156480034
(Z)-4-methanimidoyl-3-methylidenehex-4-en-2-one
CID 156799750
(E)-4-(2,5-dimethanimidoylcyclohexa-1,5-dien-1-yl)-3-methylbut-3-en-2-one
CID 163426065
(Z)-3-[(Z)-3-imino-2-methylprop-1-enyl]hex-3-en-2-one
CID 171811500
CID 173573323
CID 173573323

Frequently Asked Questions

What is the IUPAC name of ethane;2-methanimidoylcyclohex-2-en-1-one?
The IUPAC name of ethane;2-methanimidoylcyclohex-2-en-1-one (CID 144801259) is ethane;2-methanimidoylcyclohex-2-en-1-one.
What is the SMILES notation for ethane;2-methanimidoylcyclohex-2-en-1-one?
The canonical SMILES for ethane;2-methanimidoylcyclohex-2-en-1-one is CC.[H]/N=C/C1=CCCCC1=O.
What is the InChIKey of ethane;2-methanimidoylcyclohex-2-en-1-one?
The InChIKey is QWIHHENWNLEULD-HAAWTFQLSA-N. The full InChI is InChI=1S/C7H9NO.C2H6/c8-5-6-3-1-2-4-7(6)9;1-2/h3,5,8H,1-2,4H2;1-2H3/b8-5+;.
What are the key properties of ethane;2-methanimidoylcyclohex-2-en-1-one?
ethane;2-methanimidoylcyclohex-2-en-1-one has a molecular weight of 153.22 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methanimidoylcyclohex-2-en-1-one is sourced from PubChem (CID 144801259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).