(4Z)-2-ethyl-3-iminocyclooct-4-en-1-one

C10H15NO — CID 123433659

IUPAC(4Z)-2-ethyl-3-iminocyclooct-4-en-1-one
SMILES[H]/N=C1\C=C/CCCC(=O)C1CC
InChIInChI=1S/C10H15NO/c1-2-8-9(11)6-4-3-5-7-10(8)12/h4,6,8,11H,2-3,5,7H2,1H3/b6-4-,11-9+
InChIKeyAKJXNUZUKDMZCK-TWDWIPQFSA-N
MW165.24 g/mol
LogP2.34
Rot. Bonds1

About (4Z)-2-ethyl-3-iminocyclooct-4-en-1-one

(4Z)-2-ethyl-3-iminocyclooct-4-en-1-one (PubChem CID 123433659) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is (4Z)-2-ethyl-3-iminocyclooct-4-en-1-one.

Molecular Properties

Compound Name(4Z)-2-ethyl-3-iminocyclooct-4-en-1-one
PubChem CID123433659
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name(4Z)-2-ethyl-3-iminocyclooct-4-en-1-one
SMILES[H]/N=C1\C=C/CCCC(=O)C1CC
InChIInChI=1S/C10H15NO/c1-2-8-9(11)6-4-3-5-7-10(8)12/h4,6,8,11H,2-3,5,7H2,1H3/b6-4-,11-9+
InChIKeyAKJXNUZUKDMZCK-TWDWIPQFSA-N
XLogP2.34
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
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

4-Imino-2,6-dimethylcyclohex-2-en-1-one
CID 178244250
1-Cyclohex-3-en-1-yl-1-iminopropan-2-one
CID 89105658
(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
1-(4-Iminocyclohex-2-en-1-yl)ethanone
CID 90892543
(Z,5E)-5-ethylidene-6-imino-3-methyldec-7-en-4-one
CID 91262997
8-Imino-1,3,5,8a-tetrahydronaphthalen-2-one
CID 91425909
(E)-8-imino-3-methyl-7-methylideneundec-9-en-2-one
CID 123151880
4,5-Dimethyl-6-propanimidoyldeca-1,6-dien-3-one
CID 123237655
9-Imino-3,7,10-trimethylundeca-7,10-dien-2-one
CID 123272303
3-Imino-2-(2-methylhexa-3,5-dienyl)cyclohexan-1-one
CID 123323603
6-Imino-2-(4-methylpentyl)cyclohept-4-en-1-one
CID 123590001

Frequently Asked Questions

What is the IUPAC name of (4Z)-2-ethyl-3-iminocyclooct-4-en-1-one?
The IUPAC name of (4Z)-2-ethyl-3-iminocyclooct-4-en-1-one (CID 123433659) is (4Z)-2-ethyl-3-iminocyclooct-4-en-1-one.
What is the SMILES notation for (4Z)-2-ethyl-3-iminocyclooct-4-en-1-one?
The canonical SMILES for (4Z)-2-ethyl-3-iminocyclooct-4-en-1-one is [H]/N=C1\C=C/CCCC(=O)C1CC.
What is the InChIKey of (4Z)-2-ethyl-3-iminocyclooct-4-en-1-one?
The InChIKey is AKJXNUZUKDMZCK-TWDWIPQFSA-N. The full InChI is InChI=1S/C10H15NO/c1-2-8-9(11)6-4-3-5-7-10(8)12/h4,6,8,11H,2-3,5,7H2,1H3/b6-4-,11-9+.
What are the key properties of (4Z)-2-ethyl-3-iminocyclooct-4-en-1-one?
(4Z)-2-ethyl-3-iminocyclooct-4-en-1-one has a molecular weight of 165.24 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 (4Z)-2-ethyl-3-iminocyclooct-4-en-1-one is sourced from PubChem (CID 123433659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).