3-naphthalen-1-ylprop-2-enyl 3-cyclopropylpropanoate

C19H20O2 — CID 54095950

IUPAC3-naphthalen-1-ylprop-2-enyl 3-cyclopropylpropanoate
SMILESO=C(CCC1CC1)OCC=Cc1cccc2ccccc12
InChIInChI=1S/C19H20O2/c20-19(13-12-15-10-11-15)21-14-4-8-17-7-3-6-16-5-1-2-9-18(16)17/h1-9,15H,10-14H2
InChIKeyMXCJEJBKFKQPHR-UHFFFAOYSA-N
MW280.37 g/mol
LogP4.59
Rot. Bonds6

About 3-naphthalen-1-ylprop-2-enyl 3-cyclopropylpropanoate

3-naphthalen-1-ylprop-2-enyl 3-cyclopropylpropanoate (PubChem CID 54095950) has the molecular formula C19H20O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 3-naphthalen-1-ylprop-2-enyl 3-cyclopropylpropanoate.

Molecular Properties

Compound Name3-naphthalen-1-ylprop-2-enyl 3-cyclopropylpropanoate
PubChem CID54095950
Molecular FormulaC19H20O2
Molecular Weight280.37 g/mol
Exact Mass280.15
IUPAC Name3-naphthalen-1-ylprop-2-enyl 3-cyclopropylpropanoate
SMILESO=C(CCC1CC1)OCC=Cc1cccc2ccccc12
InChIInChI=1S/C19H20O2/c20-19(13-12-15-10-11-15)21-14-4-8-17-7-3-6-16-5-1-2-9-18(16)17/h1-9,15H,10-14H2
InChIKeyMXCJEJBKFKQPHR-UHFFFAOYSA-N
XLogP4.59
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-1-ylprop-2-enyl 3-cyclopropylpropanoate?
The IUPAC name of 3-naphthalen-1-ylprop-2-enyl 3-cyclopropylpropanoate (CID 54095950) is 3-naphthalen-1-ylprop-2-enyl 3-cyclopropylpropanoate.
What is the SMILES notation for 3-naphthalen-1-ylprop-2-enyl 3-cyclopropylpropanoate?
The canonical SMILES for 3-naphthalen-1-ylprop-2-enyl 3-cyclopropylpropanoate is O=C(CCC1CC1)OCC=Cc1cccc2ccccc12.
What is the InChIKey of 3-naphthalen-1-ylprop-2-enyl 3-cyclopropylpropanoate?
The InChIKey is MXCJEJBKFKQPHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O2/c20-19(13-12-15-10-11-15)21-14-4-8-17-7-3-6-16-5-1-2-9-18(16)17/h1-9,15H,10-14H2.
What are the key properties of 3-naphthalen-1-ylprop-2-enyl 3-cyclopropylpropanoate?
3-naphthalen-1-ylprop-2-enyl 3-cyclopropylpropanoate has a molecular weight of 280.37 g/mol, XLogP of 4.59, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-1-ylprop-2-enyl 3-cyclopropylpropanoate is sourced from PubChem (CID 54095950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).