6-(furan-2-yl)-3,5-dimethyl-4,8-dioxo-14-oxa-7-azatetracyclo[9.2.1.01,9.02,7]tetradec-12-ene-10-carboxylic acid

C19H19NO6 — CID 2941740

IUPAC6-(furan-2-yl)-3,5-dimethyl-4,8-dioxo-14-oxa-7-azatetracyclo[9.2.1.01,9.02,7]tetradec-12-ene-10-carboxylic acid
SMILESCC1C(=O)C(C)C2N(C(=O)C3C(C(=O)O)C4C=CC32O4)C1c1ccco1
InChIInChI=1S/C19H19NO6/c1-8-14(11-4-3-7-25-11)20-16(9(2)15(8)21)19-6-5-10(26-19)12(18(23)24)13(19)17(20)22/h3-10,12-14,16H,1-2H3,(H,23,24)
InChIKeyLXIQMFKOABADKQ-UHFFFAOYSA-N
MW357.36 g/mol
LogP1.41
Rot. Bonds2

About 6-(furan-2-yl)-3,5-dimethyl-4,8-dioxo-14-oxa-7-azatetracyclo[9.2.1.01,9.02,7]tetradec-12-ene-10-carboxylic acid

6-(furan-2-yl)-3,5-dimethyl-4,8-dioxo-14-oxa-7-azatetracyclo[9.2.1.01,9.02,7]tetradec-12-ene-10-carboxylic acid (PubChem CID 2941740) has the molecular formula C19H19NO6 and a molecular weight of 357.36 g/mol. Its IUPAC name is 6-(furan-2-yl)-3,5-dimethyl-4,8-dioxo-14-oxa-7-azatetracyclo[9.2.1.01,9.02,7]tetradec-12-ene-10-carboxylic acid.

Molecular Properties

Compound Name6-(furan-2-yl)-3,5-dimethyl-4,8-dioxo-14-oxa-7-azatetracyclo[9.2.1.01,9.02,7]tetradec-12-ene-10-carboxylic acid
PubChem CID2941740
Molecular FormulaC19H19NO6
Molecular Weight357.36 g/mol
Exact Mass357.12
IUPAC Name6-(furan-2-yl)-3,5-dimethyl-4,8-dioxo-14-oxa-7-azatetracyclo[9.2.1.01,9.02,7]tetradec-12-ene-10-carboxylic acid
SMILESCC1C(=O)C(C)C2N(C(=O)C3C(C(=O)O)C4C=CC32O4)C1c1ccco1
InChIInChI=1S/C19H19NO6/c1-8-14(11-4-3-7-25-11)20-16(9(2)15(8)21)19-6-5-10(26-19)12(18(23)24)13(19)17(20)22/h3-10,12-14,16H,1-2H3,(H,23,24)
InChIKeyLXIQMFKOABADKQ-UHFFFAOYSA-N
XLogP1.41
TPSA97.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.36
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-(furan-2-yl)-3,5-dimethyl-4,8-dioxo-14-oxa-7-azatetracyclo[9.2.1.01,9.02,7]tetradec-12-ene-10-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(furan-2-yl)-3,5-dimethyl-4,8-dioxo-14-oxa-7-azatetracyclo[9.2.1.01,9.02,7]tetradec-12-ene-10-carboxylic acid?
The IUPAC name of 6-(furan-2-yl)-3,5-dimethyl-4,8-dioxo-14-oxa-7-azatetracyclo[9.2.1.01,9.02,7]tetradec-12-ene-10-carboxylic acid (CID 2941740) is 6-(furan-2-yl)-3,5-dimethyl-4,8-dioxo-14-oxa-7-azatetracyclo[9.2.1.01,9.02,7]tetradec-12-ene-10-carboxylic acid.
What is the SMILES notation for 6-(furan-2-yl)-3,5-dimethyl-4,8-dioxo-14-oxa-7-azatetracyclo[9.2.1.01,9.02,7]tetradec-12-ene-10-carboxylic acid?
The canonical SMILES for 6-(furan-2-yl)-3,5-dimethyl-4,8-dioxo-14-oxa-7-azatetracyclo[9.2.1.01,9.02,7]tetradec-12-ene-10-carboxylic acid is CC1C(=O)C(C)C2N(C(=O)C3C(C(=O)O)C4C=CC32O4)C1c1ccco1.
What is the InChIKey of 6-(furan-2-yl)-3,5-dimethyl-4,8-dioxo-14-oxa-7-azatetracyclo[9.2.1.01,9.02,7]tetradec-12-ene-10-carboxylic acid?
The InChIKey is LXIQMFKOABADKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO6/c1-8-14(11-4-3-7-25-11)20-16(9(2)15(8)21)19-6-5-10(26-19)12(18(23)24)13(19)17(20)22/h3-10,12-14,16H,1-2H3,(H,23,24).
What are the key properties of 6-(furan-2-yl)-3,5-dimethyl-4,8-dioxo-14-oxa-7-azatetracyclo[9.2.1.01,9.02,7]tetradec-12-ene-10-carboxylic acid?
6-(furan-2-yl)-3,5-dimethyl-4,8-dioxo-14-oxa-7-azatetracyclo[9.2.1.01,9.02,7]tetradec-12-ene-10-carboxylic acid has a molecular weight of 357.36 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-2-yl)-3,5-dimethyl-4,8-dioxo-14-oxa-7-azatetracyclo[9.2.1.01,9.02,7]tetradec-12-ene-10-carboxylic acid is sourced from PubChem (CID 2941740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).