methyl 9-methyl-2-oxo-11H-pyrano[2,3-a]carbazole-4-carboxylate

C18H13NO4 — CID 71518904

IUPACmethyl 9-methyl-2-oxo-11H-pyrano[2,3-a]carbazole-4-carboxylate
SMILESCOC(=O)c1cc(=O)oc2c1ccc1c3ccc(C)cc3[nH]c12
InChIInChI=1S/C18H13NO4/c1-9-3-4-10-11-5-6-12-13(18(21)22-2)8-15(20)23-17(12)16(11)19-14(10)7-9/h3-8,19H,1-2H3
InChIKeySMMNNULKXPVXBW-UHFFFAOYSA-N
MW307.31 g/mol
LogP3.52
Rot. Bonds1

About methyl 9-methyl-2-oxo-11H-pyrano[2,3-a]carbazole-4-carboxylate

methyl 9-methyl-2-oxo-11H-pyrano[2,3-a]carbazole-4-carboxylate (PubChem CID 71518904) has the molecular formula C18H13NO4 and a molecular weight of 307.31 g/mol. Its IUPAC name is methyl 9-methyl-2-oxo-11H-pyrano[2,3-a]carbazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 9-methyl-2-oxo-11H-pyrano[2,3-a]carbazole-4-carboxylate
PubChem CID71518904
Molecular FormulaC18H13NO4
Molecular Weight307.31 g/mol
Exact Mass307.08
IUPAC Namemethyl 9-methyl-2-oxo-11H-pyrano[2,3-a]carbazole-4-carboxylate
SMILESCOC(=O)c1cc(=O)oc2c1ccc1c3ccc(C)cc3[nH]c12
InChIInChI=1S/C18H13NO4/c1-9-3-4-10-11-5-6-12-13(18(21)22-2)8-15(20)23-17(12)16(11)19-14(10)7-9/h3-8,19H,1-2H3
InChIKeySMMNNULKXPVXBW-UHFFFAOYSA-N
XLogP3.52
TPSA72.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 9-methyl-2-oxo-11H-pyrano[2,3-a]carbazole-4-carboxylate?
The IUPAC name of methyl 9-methyl-2-oxo-11H-pyrano[2,3-a]carbazole-4-carboxylate (CID 71518904) is methyl 9-methyl-2-oxo-11H-pyrano[2,3-a]carbazole-4-carboxylate.
What is the SMILES notation for methyl 9-methyl-2-oxo-11H-pyrano[2,3-a]carbazole-4-carboxylate?
The canonical SMILES for methyl 9-methyl-2-oxo-11H-pyrano[2,3-a]carbazole-4-carboxylate is COC(=O)c1cc(=O)oc2c1ccc1c3ccc(C)cc3[nH]c12.
What is the InChIKey of methyl 9-methyl-2-oxo-11H-pyrano[2,3-a]carbazole-4-carboxylate?
The InChIKey is SMMNNULKXPVXBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NO4/c1-9-3-4-10-11-5-6-12-13(18(21)22-2)8-15(20)23-17(12)16(11)19-14(10)7-9/h3-8,19H,1-2H3.
What are the key properties of methyl 9-methyl-2-oxo-11H-pyrano[2,3-a]carbazole-4-carboxylate?
methyl 9-methyl-2-oxo-11H-pyrano[2,3-a]carbazole-4-carboxylate has a molecular weight of 307.31 g/mol, XLogP of 3.52, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 9-methyl-2-oxo-11H-pyrano[2,3-a]carbazole-4-carboxylate is sourced from PubChem (CID 71518904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).