methyl 2-cyclopenta-1,3-dien-1-ylpropanoate

C9H12O2 — CID 22758020

IUPACmethyl 2-cyclopenta-1,3-dien-1-ylpropanoate
SMILESCOC(=O)C(C)C1=CC=CC1
InChIInChI=1S/C9H12O2/c1-7(9(10)11-2)8-5-3-4-6-8/h3-5,7H,6H2,1-2H3
InChIKeySDPPUISLWKLEIM-UHFFFAOYSA-N
MW152.19 g/mol
LogP1.68
Rot. Bonds2

About methyl 2-cyclopenta-1,3-dien-1-ylpropanoate

methyl 2-cyclopenta-1,3-dien-1-ylpropanoate (PubChem CID 22758020) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is methyl 2-cyclopenta-1,3-dien-1-ylpropanoate.

Molecular Properties

Compound Namemethyl 2-cyclopenta-1,3-dien-1-ylpropanoate
PubChem CID22758020
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Namemethyl 2-cyclopenta-1,3-dien-1-ylpropanoate
SMILESCOC(=O)C(C)C1=CC=CC1
InChIInChI=1S/C9H12O2/c1-7(9(10)11-2)8-5-3-4-6-8/h3-5,7H,6H2,1-2H3
InChIKeySDPPUISLWKLEIM-UHFFFAOYSA-N
XLogP1.68
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 12856946
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Methyl (E)-2,6,10-trimethyl-5,9-undecadienoate
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3-Cyclohexa-1,5-dien-1-ylpropyl 4-methylpentanoate
CID 162826830
methyl (4Z,6E)-3-methylundeca-4,6-dienoate
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Methyl 2,4-cyclopentadien-1-ylacetate
CID 12663824
Methyl 2-ethenyl-7-methyloct-6-enoate
CID 14759852
Methyl 2,6-dimethyl-5-octenoate
CID 54456938
Methyl 2-ethenyl-4-methylpent-4-enoate
CID 86109365
Monohydroxylate sodium
CID 129817536
3-Butadienyl-4-methylfuran-2-one
CID 129844640

Frequently Asked Questions

What is the IUPAC name of methyl 2-cyclopenta-1,3-dien-1-ylpropanoate?
The IUPAC name of methyl 2-cyclopenta-1,3-dien-1-ylpropanoate (CID 22758020) is methyl 2-cyclopenta-1,3-dien-1-ylpropanoate.
What is the SMILES notation for methyl 2-cyclopenta-1,3-dien-1-ylpropanoate?
The canonical SMILES for methyl 2-cyclopenta-1,3-dien-1-ylpropanoate is COC(=O)C(C)C1=CC=CC1.
What is the InChIKey of methyl 2-cyclopenta-1,3-dien-1-ylpropanoate?
The InChIKey is SDPPUISLWKLEIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2/c1-7(9(10)11-2)8-5-3-4-6-8/h3-5,7H,6H2,1-2H3.
What are the key properties of methyl 2-cyclopenta-1,3-dien-1-ylpropanoate?
methyl 2-cyclopenta-1,3-dien-1-ylpropanoate has a molecular weight of 152.19 g/mol, XLogP of 1.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-cyclopenta-1,3-dien-1-ylpropanoate is sourced from PubChem (CID 22758020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).