(2Z)-2-[2-(oxomethylidene)cyclohex-3-en-1-ylidene]acetic acid

C9H8O3 — CID 57272757

IUPAC(2Z)-2-[2-(oxomethylidene)cyclohex-3-en-1-ylidene]acetic acid
SMILESO=C=C1C=CCC/C1=C/C(=O)O
InChIInChI=1S/C9H8O3/c10-6-8-4-2-1-3-7(8)5-9(11)12/h2,4-5H,1,3H2,(H,11,12)/b7-5-
InChIKeyRUGNMZJAXAEZDO-ALCCZGGFSA-N
MW164.16 g/mol
LogP1.11
Rot. Bonds1

About (2Z)-2-[2-(oxomethylidene)cyclohex-3-en-1-ylidene]acetic acid

(2Z)-2-[2-(oxomethylidene)cyclohex-3-en-1-ylidene]acetic acid (PubChem CID 57272757) has the molecular formula C9H8O3 and a molecular weight of 164.16 g/mol. Its IUPAC name is (2Z)-2-[2-(oxomethylidene)cyclohex-3-en-1-ylidene]acetic acid.

Molecular Properties

Compound Name(2Z)-2-[2-(oxomethylidene)cyclohex-3-en-1-ylidene]acetic acid
PubChem CID57272757
Molecular FormulaC9H8O3
Molecular Weight164.16 g/mol
Exact Mass164.05
IUPAC Name(2Z)-2-[2-(oxomethylidene)cyclohex-3-en-1-ylidene]acetic acid
SMILESO=C=C1C=CCC/C1=C/C(=O)O
InChIInChI=1S/C9H8O3/c10-6-8-4-2-1-3-7(8)5-9(11)12/h2,4-5H,1,3H2,(H,11,12)/b7-5-
InChIKeyRUGNMZJAXAEZDO-ALCCZGGFSA-N
XLogP1.11
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ketene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

[(6E)-6-(morpholin-4-ylmethylidene)cyclohex-2-en-1-ylidene]methanone
CID 57135758
(2E)-2-cyclohex-3-en-1-ylideneacetic acid
CID 55302338
2-cycloprop-2-en-1-ylideneacetic acid
CID 131854742
ethyl (2Z)-2-cyclopent-2-en-1-ylideneacetate
CID 100915325
(2E,4E,6E,8Z)-8-cyclohex-2-en-1-ylidene-3,7-dimethylocta-2,4,6-trienoic acid
CID 10490506
(2E,4E,6E,8E)-8-cyclohex-2-en-1-ylidene-3,7-dimethylocta-2,4,6-trienoic acid
CID 10681749
2-cyclooctylideneacetic acid
CID 10442086
N-(2-aminocyclohexa-1,5-dien-1-yl)prop-2-enamide
CID 144831896
(2E)-2-(4-methyl-2,3-dihydroinden-1-ylidene)acetic acid
CID 22724617
(2E)-2-(6-chloro-2,3-dihydroinden-1-ylidene)acetic acid
CID 82077740
(4Z)-3-methylidene-4-prop-2-enylidenecyclohexene
CID 142354681
3-cyclohexa-1,5-dien-1-yloxirane-2-carboxylic acid
CID 118884274

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[2-(oxomethylidene)cyclohex-3-en-1-ylidene]acetic acid?
The IUPAC name of (2Z)-2-[2-(oxomethylidene)cyclohex-3-en-1-ylidene]acetic acid (CID 57272757) is (2Z)-2-[2-(oxomethylidene)cyclohex-3-en-1-ylidene]acetic acid.
What is the SMILES notation for (2Z)-2-[2-(oxomethylidene)cyclohex-3-en-1-ylidene]acetic acid?
The canonical SMILES for (2Z)-2-[2-(oxomethylidene)cyclohex-3-en-1-ylidene]acetic acid is O=C=C1C=CCC/C1=C/C(=O)O.
What is the InChIKey of (2Z)-2-[2-(oxomethylidene)cyclohex-3-en-1-ylidene]acetic acid?
The InChIKey is RUGNMZJAXAEZDO-ALCCZGGFSA-N. The full InChI is InChI=1S/C9H8O3/c10-6-8-4-2-1-3-7(8)5-9(11)12/h2,4-5H,1,3H2,(H,11,12)/b7-5-.
What are the key properties of (2Z)-2-[2-(oxomethylidene)cyclohex-3-en-1-ylidene]acetic acid?
(2Z)-2-[2-(oxomethylidene)cyclohex-3-en-1-ylidene]acetic acid has a molecular weight of 164.16 g/mol, XLogP of 1.11, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[2-(oxomethylidene)cyclohex-3-en-1-ylidene]acetic acid is sourced from PubChem (CID 57272757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).