cyclopenten-1-yl 2-(cyclopenten-1-yl)prop-2-enoate

C13H16O2 — CID 57165775

IUPACcyclopenten-1-yl 2-(cyclopenten-1-yl)prop-2-enoate
SMILESC=C(C(=O)OC1=CCCC1)C1=CCCC1
InChIInChI=1S/C13H16O2/c1-10(11-6-2-3-7-11)13(14)15-12-8-4-5-9-12/h6,8H,1-5,7,9H2
InChIKeyHHNVJDSLBWUVLK-UHFFFAOYSA-N
MW204.27 g/mol
LogP3.26
Rot. Bonds3

About cyclopenten-1-yl 2-(cyclopenten-1-yl)prop-2-enoate

cyclopenten-1-yl 2-(cyclopenten-1-yl)prop-2-enoate (PubChem CID 57165775) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is cyclopenten-1-yl 2-(cyclopenten-1-yl)prop-2-enoate.

Molecular Properties

Compound Namecyclopenten-1-yl 2-(cyclopenten-1-yl)prop-2-enoate
PubChem CID57165775
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Namecyclopenten-1-yl 2-(cyclopenten-1-yl)prop-2-enoate
SMILESC=C(C(=O)OC1=CCCC1)C1=CCCC1
InChIInChI=1S/C13H16O2/c1-10(11-6-2-3-7-11)13(14)15-12-8-4-5-9-12/h6,8H,1-5,7,9H2
InChIKeyHHNVJDSLBWUVLK-UHFFFAOYSA-N
XLogP3.26
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 53.26
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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Frequently Asked Questions

What is the IUPAC name of cyclopenten-1-yl 2-(cyclopenten-1-yl)prop-2-enoate?
The IUPAC name of cyclopenten-1-yl 2-(cyclopenten-1-yl)prop-2-enoate (CID 57165775) is cyclopenten-1-yl 2-(cyclopenten-1-yl)prop-2-enoate.
What is the SMILES notation for cyclopenten-1-yl 2-(cyclopenten-1-yl)prop-2-enoate?
The canonical SMILES for cyclopenten-1-yl 2-(cyclopenten-1-yl)prop-2-enoate is C=C(C(=O)OC1=CCCC1)C1=CCCC1.
What is the InChIKey of cyclopenten-1-yl 2-(cyclopenten-1-yl)prop-2-enoate?
The InChIKey is HHNVJDSLBWUVLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2/c1-10(11-6-2-3-7-11)13(14)15-12-8-4-5-9-12/h6,8H,1-5,7,9H2.
What are the key properties of cyclopenten-1-yl 2-(cyclopenten-1-yl)prop-2-enoate?
cyclopenten-1-yl 2-(cyclopenten-1-yl)prop-2-enoate has a molecular weight of 204.27 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenten-1-yl 2-(cyclopenten-1-yl)prop-2-enoate is sourced from PubChem (CID 57165775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).