naphthalen-1-ylmethyl 3-(1-methylidene-3-oxoisoindol-2-yl)propanoate

C23H19NO3 — CID 42384969

IUPACnaphthalen-1-ylmethyl 3-(1-methylidene-3-oxoisoindol-2-yl)propanoate
SMILESC=C1c2ccccc2C(=O)N1CCC(=O)OCc1cccc2ccccc12
InChIInChI=1S/C23H19NO3/c1-16-19-10-4-5-12-21(19)23(26)24(16)14-13-22(25)27-15-18-9-6-8-17-7-2-3-11-20(17)18/h2-12H,1,13-15H2
InChIKeyMMCXXDCNXUZLBE-UHFFFAOYSA-N
MW357.41 g/mol
LogP4.40
Rot. Bonds5

About naphthalen-1-ylmethyl 3-(1-methylidene-3-oxoisoindol-2-yl)propanoate

naphthalen-1-ylmethyl 3-(1-methylidene-3-oxoisoindol-2-yl)propanoate (PubChem CID 42384969) has the molecular formula C23H19NO3 and a molecular weight of 357.41 g/mol. Its IUPAC name is naphthalen-1-ylmethyl 3-(1-methylidene-3-oxoisoindol-2-yl)propanoate.

Molecular Properties

Compound Namenaphthalen-1-ylmethyl 3-(1-methylidene-3-oxoisoindol-2-yl)propanoate
PubChem CID42384969
Molecular FormulaC23H19NO3
Molecular Weight357.41 g/mol
Exact Mass357.14
IUPAC Namenaphthalen-1-ylmethyl 3-(1-methylidene-3-oxoisoindol-2-yl)propanoate
SMILESC=C1c2ccccc2C(=O)N1CCC(=O)OCc1cccc2ccccc12
InChIInChI=1S/C23H19NO3/c1-16-19-10-4-5-12-21(19)23(26)24(16)14-13-22(25)27-15-18-9-6-8-17-7-2-3-11-20(17)18/h2-12H,1,13-15H2
InChIKeyMMCXXDCNXUZLBE-UHFFFAOYSA-N
XLogP4.40
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of naphthalen-1-ylmethyl 3-(1-methylidene-3-oxoisoindol-2-yl)propanoate?
The IUPAC name of naphthalen-1-ylmethyl 3-(1-methylidene-3-oxoisoindol-2-yl)propanoate (CID 42384969) is naphthalen-1-ylmethyl 3-(1-methylidene-3-oxoisoindol-2-yl)propanoate.
What is the SMILES notation for naphthalen-1-ylmethyl 3-(1-methylidene-3-oxoisoindol-2-yl)propanoate?
The canonical SMILES for naphthalen-1-ylmethyl 3-(1-methylidene-3-oxoisoindol-2-yl)propanoate is C=C1c2ccccc2C(=O)N1CCC(=O)OCc1cccc2ccccc12.
What is the InChIKey of naphthalen-1-ylmethyl 3-(1-methylidene-3-oxoisoindol-2-yl)propanoate?
The InChIKey is MMCXXDCNXUZLBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO3/c1-16-19-10-4-5-12-21(19)23(26)24(16)14-13-22(25)27-15-18-9-6-8-17-7-2-3-11-20(17)18/h2-12H,1,13-15H2.
What are the key properties of naphthalen-1-ylmethyl 3-(1-methylidene-3-oxoisoindol-2-yl)propanoate?
naphthalen-1-ylmethyl 3-(1-methylidene-3-oxoisoindol-2-yl)propanoate has a molecular weight of 357.41 g/mol, XLogP of 4.40, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-1-ylmethyl 3-(1-methylidene-3-oxoisoindol-2-yl)propanoate is sourced from PubChem (CID 42384969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).