(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 3-phenylprop-2-enoate

C19H24O2 — CID 583021

IUPAC(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 3-phenylprop-2-enoate
SMILESCC1(C)C2CCC1(C)C(OC(=O)C=Cc1ccccc1)C2
InChIInChI=1S/C19H24O2/c1-18(2)15-11-12-19(18,3)16(13-15)21-17(20)10-9-14-7-5-4-6-8-14/h4-10,15-16H,11-13H2,1-3H3
InChIKeyACTRLDZRLKIJEH-UHFFFAOYSA-N
MW284.40 g/mol
LogP4.46
Rot. Bonds3

About (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 3-phenylprop-2-enoate

(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 3-phenylprop-2-enoate (PubChem CID 583021) has the molecular formula C19H24O2 and a molecular weight of 284.40 g/mol. Its IUPAC name is (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 3-phenylprop-2-enoate.

Molecular Properties

Compound Name(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 3-phenylprop-2-enoate
PubChem CID583021
Molecular FormulaC19H24O2
Molecular Weight284.40 g/mol
Exact Mass284.18
IUPAC Name(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 3-phenylprop-2-enoate
SMILESCC1(C)C2CCC1(C)C(OC(=O)C=Cc1ccccc1)C2
InChIInChI=1S/C19H24O2/c1-18(2)15-11-12-19(18,3)16(13-15)21-17(20)10-9-14-7-5-4-6-8-14/h4-10,15-16H,11-13H2,1-3H3
InChIKeyACTRLDZRLKIJEH-UHFFFAOYSA-N
XLogP4.46
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 54.46
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 (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 3-phenylprop-2-enoate?
The IUPAC name of (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 3-phenylprop-2-enoate (CID 583021) is (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 3-phenylprop-2-enoate.
What is the SMILES notation for (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 3-phenylprop-2-enoate?
The canonical SMILES for (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 3-phenylprop-2-enoate is CC1(C)C2CCC1(C)C(OC(=O)C=Cc1ccccc1)C2.
What is the InChIKey of (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 3-phenylprop-2-enoate?
The InChIKey is ACTRLDZRLKIJEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O2/c1-18(2)15-11-12-19(18,3)16(13-15)21-17(20)10-9-14-7-5-4-6-8-14/h4-10,15-16H,11-13H2,1-3H3.
What are the key properties of (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 3-phenylprop-2-enoate?
(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 3-phenylprop-2-enoate has a molecular weight of 284.40 g/mol, XLogP of 4.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 3-phenylprop-2-enoate is sourced from PubChem (CID 583021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).