methyl 2-cyclopent-2-en-1-ylideneacetate

C8H10O2 — CID 85312116

IUPACmethyl 2-cyclopent-2-en-1-ylideneacetate
SMILESCOC(=O)C=C1C=CCC1
InChIInChI=1S/C8H10O2/c1-10-8(9)6-7-4-2-3-5-7/h2,4,6H,3,5H2,1H3
InChIKeyNGOXHQLJDRLWKO-UHFFFAOYSA-N
MW138.17 g/mol
LogP1.44
Rot. Bonds1

About methyl 2-cyclopent-2-en-1-ylideneacetate

methyl 2-cyclopent-2-en-1-ylideneacetate (PubChem CID 85312116) has the molecular formula C8H10O2 and a molecular weight of 138.17 g/mol. Its IUPAC name is methyl 2-cyclopent-2-en-1-ylideneacetate.

Molecular Properties

Compound Namemethyl 2-cyclopent-2-en-1-ylideneacetate
PubChem CID85312116
Molecular FormulaC8H10O2
Molecular Weight138.17 g/mol
Exact Mass138.07
IUPAC Namemethyl 2-cyclopent-2-en-1-ylideneacetate
SMILESCOC(=O)C=C1C=CCC1
InChIInChI=1S/C8H10O2/c1-10-8(9)6-7-4-2-3-5-7/h2,4,6H,3,5H2,1H3
InChIKeyNGOXHQLJDRLWKO-UHFFFAOYSA-N
XLogP1.44
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Methyl geranate
CID 5365910
Methyl 2,4-decadienoate, (2E,4Z)-
CID 6436336
Methyl nerate
CID 5365912
Methyl farnesoate
CID 5275508
Ethyl 3,7-dimethyl-2,6-octadienoate
CID 5365917
Ethyl 3,7-dimethylocta-2,6-dienoate
CID 114614
(,E)-3,7-Dimethyl-2,6-octadienyl 2-butenoate
CID 5980396
Methyl 3,7-dimethylocta-2,6-dienoate
CID 70917
2,6-Octadienoic acid, 3,7-dimethyl-, ethyl ester
CID 5317247
Acetic acid, 2-cyclopentylidene-, methyl ester
CID 162409
2-Hexenoic acid, 2-methyl-, methyl ester, (2E)-
CID 5364816
Methyl 2,4-decadienoate, (2E,4E)-
CID 5463485

Frequently Asked Questions

What is the IUPAC name of methyl 2-cyclopent-2-en-1-ylideneacetate?
The IUPAC name of methyl 2-cyclopent-2-en-1-ylideneacetate (CID 85312116) is methyl 2-cyclopent-2-en-1-ylideneacetate.
What is the SMILES notation for methyl 2-cyclopent-2-en-1-ylideneacetate?
The canonical SMILES for methyl 2-cyclopent-2-en-1-ylideneacetate is COC(=O)C=C1C=CCC1.
What is the InChIKey of methyl 2-cyclopent-2-en-1-ylideneacetate?
The InChIKey is NGOXHQLJDRLWKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2/c1-10-8(9)6-7-4-2-3-5-7/h2,4,6H,3,5H2,1H3.
What are the key properties of methyl 2-cyclopent-2-en-1-ylideneacetate?
methyl 2-cyclopent-2-en-1-ylideneacetate has a molecular weight of 138.17 g/mol, XLogP of 1.44, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-cyclopent-2-en-1-ylideneacetate is sourced from PubChem (CID 85312116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).