prop-2-enoic acid;tricyclo[5.2.1.02,6]dec-3-ene

C13H18O2 — CID 156614061

IUPACprop-2-enoic acid;tricyclo[5.2.1.02,6]dec-3-ene
SMILESC1=CC2C3CCC(C3)C2C1.C=CC(=O)O
InChIInChI=1S/C10H14.C3H4O2/c1-2-9-7-4-5-8(6-7)10(9)3-1;1-2-3(4)5/h1-2,7-10H,3-6H2;2H,1H2,(H,4,5)
InChIKeyVESDYVUOUJIWJX-UHFFFAOYSA-N
MW206.28 g/mol
LogP2.87
Rot. Bonds1

About prop-2-enoic acid;tricyclo[5.2.1.02,6]dec-3-ene

prop-2-enoic acid;tricyclo[5.2.1.02,6]dec-3-ene (PubChem CID 156614061) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is prop-2-enoic acid;tricyclo[5.2.1.02,6]dec-3-ene.

Molecular Properties

Compound Nameprop-2-enoic acid;tricyclo[5.2.1.02,6]dec-3-ene
PubChem CID156614061
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Nameprop-2-enoic acid;tricyclo[5.2.1.02,6]dec-3-ene
SMILESC1=CC2C3CCC(C3)C2C1.C=CC(=O)O
InChIInChI=1S/C10H14.C3H4O2/c1-2-9-7-4-5-8(6-7)10(9)3-1;1-2-3(4)5/h1-2,7-10H,3-6H2;2H,1H2,(H,4,5)
InChIKeyVESDYVUOUJIWJX-UHFFFAOYSA-N
XLogP2.87
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of prop-2-enoic acid;tricyclo[5.2.1.02,6]dec-3-ene?
The IUPAC name of prop-2-enoic acid;tricyclo[5.2.1.02,6]dec-3-ene (CID 156614061) is prop-2-enoic acid;tricyclo[5.2.1.02,6]dec-3-ene.
What is the SMILES notation for prop-2-enoic acid;tricyclo[5.2.1.02,6]dec-3-ene?
The canonical SMILES for prop-2-enoic acid;tricyclo[5.2.1.02,6]dec-3-ene is C1=CC2C3CCC(C3)C2C1.C=CC(=O)O.
What is the InChIKey of prop-2-enoic acid;tricyclo[5.2.1.02,6]dec-3-ene?
The InChIKey is VESDYVUOUJIWJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14.C3H4O2/c1-2-9-7-4-5-8(6-7)10(9)3-1;1-2-3(4)5/h1-2,7-10H,3-6H2;2H,1H2,(H,4,5).
What are the key properties of prop-2-enoic acid;tricyclo[5.2.1.02,6]dec-3-ene?
prop-2-enoic acid;tricyclo[5.2.1.02,6]dec-3-ene has a molecular weight of 206.28 g/mol, XLogP of 2.87, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enoic acid;tricyclo[5.2.1.02,6]dec-3-ene is sourced from PubChem (CID 156614061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).