cyclopenta-1,3-dien-1-yl 2-methylprop-2-enoate

C18H20O4 — CID 67221936

IUPACcyclopenta-1,3-dien-1-yl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1=CC=CC1.C=C(C)C(=O)OC1=CC=CC1
InChIInChI=1S/2C9H10O2/c2*1-7(2)9(10)11-8-5-3-4-6-8/h2*3-5H,1,6H2,2H3
InChIKeyCSCDKHFDSBDHOD-UHFFFAOYSA-N
MW300.35 g/mol
LogP3.90
Rot. Bonds4

About cyclopenta-1,3-dien-1-yl 2-methylprop-2-enoate

cyclopenta-1,3-dien-1-yl 2-methylprop-2-enoate (PubChem CID 67221936) has the molecular formula C18H20O4 and a molecular weight of 300.35 g/mol. Its IUPAC name is cyclopenta-1,3-dien-1-yl 2-methylprop-2-enoate.

Molecular Properties

Compound Namecyclopenta-1,3-dien-1-yl 2-methylprop-2-enoate
PubChem CID67221936
Molecular FormulaC18H20O4
Molecular Weight300.35 g/mol
Exact Mass300.14
IUPAC Namecyclopenta-1,3-dien-1-yl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1=CC=CC1.C=C(C)C(=O)OC1=CC=CC1
InChIInChI=1S/2C9H10O2/c2*1-7(2)9(10)11-8-5-3-4-6-8/h2*3-5H,1,6H2,2H3
InChIKeyCSCDKHFDSBDHOD-UHFFFAOYSA-N
XLogP3.90
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Bombardolide C
CID 10330245
3-methyl-4-[(1E,3E,5E)-6-methyl-7-oxoocta-1,3,5-trienyl]furan-2,5-dione
CID 6443518
3-Methyl-4-(6-methyl-7-oxoocta-1,3,5-trienyl)furan-2,5-dione
CID 190912
(E)-3-[(5E)-2-oxo-5-propylidenefuran-3-yl]prop-2-enoic acid
CID 11745513
3-(2-Oxo-5-propylidenefuran-3-yl)prop-2-enoic acid
CID 73083143
5-But-2-enylidene-3-prop-1-enylfuran-2-one
CID 85817228
Graphenone
CID 139586086
5-(E)-But-2-enylidene-3-(E)-propenyl-5H-furan-2-one
CID 139587167
Acetoxyfulvene
CID 154283132
[(3Z,6E,8Z)-8-fluoro-5-methylidene-9-(2-methylprop-2-enoyloxy)undeca-1,3,6,8,10-pentaen-2-yl] 2-methylprop-2-enoate
CID 135161134
[(3Z,7E)-7-fluoro-5,6-dimethylidene-9-(2-methylprop-2-enoyloxy)deca-1,3,7,9-tetraen-2-yl] 2-methylprop-2-enoate
CID 144647898
11-O-tert-butyl 1-O-methyl (2E,4E,6E,8E,10E)-10-ethylidene-2,8-dimethylundeca-2,4,6,8-tetraenedioate
CID 11381997

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-dien-1-yl 2-methylprop-2-enoate?
The IUPAC name of cyclopenta-1,3-dien-1-yl 2-methylprop-2-enoate (CID 67221936) is cyclopenta-1,3-dien-1-yl 2-methylprop-2-enoate.
What is the SMILES notation for cyclopenta-1,3-dien-1-yl 2-methylprop-2-enoate?
The canonical SMILES for cyclopenta-1,3-dien-1-yl 2-methylprop-2-enoate is C=C(C)C(=O)OC1=CC=CC1.C=C(C)C(=O)OC1=CC=CC1.
What is the InChIKey of cyclopenta-1,3-dien-1-yl 2-methylprop-2-enoate?
The InChIKey is CSCDKHFDSBDHOD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H10O2/c2*1-7(2)9(10)11-8-5-3-4-6-8/h2*3-5H,1,6H2,2H3.
What are the key properties of cyclopenta-1,3-dien-1-yl 2-methylprop-2-enoate?
cyclopenta-1,3-dien-1-yl 2-methylprop-2-enoate has a molecular weight of 300.35 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-dien-1-yl 2-methylprop-2-enoate is sourced from PubChem (CID 67221936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).