3-[3-[(E)-(3-methyl-2,4-dioxo-1,3-oxazolidin-5-ylidene)methyl]carbazol-9-yl]propyl prop-2-enoate

C23H20N2O5 — CID 20715557

IUPAC3-[3-[(E)-(3-methyl-2,4-dioxo-1,3-oxazolidin-5-ylidene)methyl]carbazol-9-yl]propyl prop-2-enoate
SMILESC=CC(=O)OCCCn1c2ccccc2c2cc(/C=C3/OC(=O)N(C)C3=O)ccc21
InChIInChI=1S/C23H20N2O5/c1-3-21(26)29-12-6-11-25-18-8-5-4-7-16(18)17-13-15(9-10-19(17)25)14-20-22(27)24(2)23(28)30-20/h3-5,7-10,13-14H,1,6,11-12H2,2H3/b20-14+
InChIKeyZNXSETPJUDKNBH-XSFVSMFZSA-N
MW404.42 g/mol
LogP3.86
Rot. Bonds6

About 3-[3-[(E)-(3-methyl-2,4-dioxo-1,3-oxazolidin-5-ylidene)methyl]carbazol-9-yl]propyl prop-2-enoate

3-[3-[(E)-(3-methyl-2,4-dioxo-1,3-oxazolidin-5-ylidene)methyl]carbazol-9-yl]propyl prop-2-enoate (PubChem CID 20715557) has the molecular formula C23H20N2O5 and a molecular weight of 404.42 g/mol. Its IUPAC name is 3-[3-[(E)-(3-methyl-2,4-dioxo-1,3-oxazolidin-5-ylidene)methyl]carbazol-9-yl]propyl prop-2-enoate.

Molecular Properties

Compound Name3-[3-[(E)-(3-methyl-2,4-dioxo-1,3-oxazolidin-5-ylidene)methyl]carbazol-9-yl]propyl prop-2-enoate
PubChem CID20715557
Molecular FormulaC23H20N2O5
Molecular Weight404.42 g/mol
Exact Mass404.14
IUPAC Name3-[3-[(E)-(3-methyl-2,4-dioxo-1,3-oxazolidin-5-ylidene)methyl]carbazol-9-yl]propyl prop-2-enoate
SMILESC=CC(=O)OCCCn1c2ccccc2c2cc(/C=C3/OC(=O)N(C)C3=O)ccc21
InChIInChI=1S/C23H20N2O5/c1-3-21(26)29-12-6-11-25-18-8-5-4-7-16(18)17-13-15(9-10-19(17)25)14-20-22(27)24(2)23(28)30-20/h3-5,7-10,13-14H,1,6,11-12H2,2H3/b20-14+
InChIKeyZNXSETPJUDKNBH-XSFVSMFZSA-N
XLogP3.86
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.42
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[(E)-(3-methyl-2,4-dioxo-1,3-oxazolidin-5-ylidene)methyl]carbazol-9-yl]propyl prop-2-enoate?
The IUPAC name of 3-[3-[(E)-(3-methyl-2,4-dioxo-1,3-oxazolidin-5-ylidene)methyl]carbazol-9-yl]propyl prop-2-enoate (CID 20715557) is 3-[3-[(E)-(3-methyl-2,4-dioxo-1,3-oxazolidin-5-ylidene)methyl]carbazol-9-yl]propyl prop-2-enoate.
What is the SMILES notation for 3-[3-[(E)-(3-methyl-2,4-dioxo-1,3-oxazolidin-5-ylidene)methyl]carbazol-9-yl]propyl prop-2-enoate?
The canonical SMILES for 3-[3-[(E)-(3-methyl-2,4-dioxo-1,3-oxazolidin-5-ylidene)methyl]carbazol-9-yl]propyl prop-2-enoate is C=CC(=O)OCCCn1c2ccccc2c2cc(/C=C3/OC(=O)N(C)C3=O)ccc21.
What is the InChIKey of 3-[3-[(E)-(3-methyl-2,4-dioxo-1,3-oxazolidin-5-ylidene)methyl]carbazol-9-yl]propyl prop-2-enoate?
The InChIKey is ZNXSETPJUDKNBH-XSFVSMFZSA-N. The full InChI is InChI=1S/C23H20N2O5/c1-3-21(26)29-12-6-11-25-18-8-5-4-7-16(18)17-13-15(9-10-19(17)25)14-20-22(27)24(2)23(28)30-20/h3-5,7-10,13-14H,1,6,11-12H2,2H3/b20-14+.
What are the key properties of 3-[3-[(E)-(3-methyl-2,4-dioxo-1,3-oxazolidin-5-ylidene)methyl]carbazol-9-yl]propyl prop-2-enoate?
3-[3-[(E)-(3-methyl-2,4-dioxo-1,3-oxazolidin-5-ylidene)methyl]carbazol-9-yl]propyl prop-2-enoate has a molecular weight of 404.42 g/mol, XLogP of 3.86, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(E)-(3-methyl-2,4-dioxo-1,3-oxazolidin-5-ylidene)methyl]carbazol-9-yl]propyl prop-2-enoate is sourced from PubChem (CID 20715557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).