ethyl 1-oxo-2,3-dihydronaphtho[2,3-e]indole-2-carboxylate

C19H15NO3 — CID 2749323

IUPACethyl 1-oxo-2,3-dihydronaphtho[2,3-e]indole-2-carboxylate
SMILESCCOC(=O)C1Nc2ccc3cc4ccccc4cc3c2C1=O
InChIInChI=1S/C19H15NO3/c1-2-23-19(22)17-18(21)16-14-10-12-6-4-3-5-11(12)9-13(14)7-8-15(16)20-17/h3-10,17,20H,2H2,1H3
InChIKeyQADWJJDYZKEKTF-UHFFFAOYSA-N
MW305.33 g/mol
LogP3.53
Rot. Bonds2

About ethyl 1-oxo-2,3-dihydronaphtho[2,3-e]indole-2-carboxylate

ethyl 1-oxo-2,3-dihydronaphtho[2,3-e]indole-2-carboxylate (PubChem CID 2749323) has the molecular formula C19H15NO3 and a molecular weight of 305.33 g/mol. Its IUPAC name is ethyl 1-oxo-2,3-dihydronaphtho[2,3-e]indole-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-oxo-2,3-dihydronaphtho[2,3-e]indole-2-carboxylate
PubChem CID2749323
Molecular FormulaC19H15NO3
Molecular Weight305.33 g/mol
Exact Mass305.11
IUPAC Nameethyl 1-oxo-2,3-dihydronaphtho[2,3-e]indole-2-carboxylate
SMILESCCOC(=O)C1Nc2ccc3cc4ccccc4cc3c2C1=O
InChIInChI=1S/C19H15NO3/c1-2-23-19(22)17-18(21)16-14-10-12-6-4-3-5-11(12)9-13(14)7-8-15(16)20-17/h3-10,17,20H,2H2,1H3
InChIKeyQADWJJDYZKEKTF-UHFFFAOYSA-N
XLogP3.53
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-oxo-2,3-dihydronaphtho[2,3-e]indole-2-carboxylate?
The IUPAC name of ethyl 1-oxo-2,3-dihydronaphtho[2,3-e]indole-2-carboxylate (CID 2749323) is ethyl 1-oxo-2,3-dihydronaphtho[2,3-e]indole-2-carboxylate.
What is the SMILES notation for ethyl 1-oxo-2,3-dihydronaphtho[2,3-e]indole-2-carboxylate?
The canonical SMILES for ethyl 1-oxo-2,3-dihydronaphtho[2,3-e]indole-2-carboxylate is CCOC(=O)C1Nc2ccc3cc4ccccc4cc3c2C1=O.
What is the InChIKey of ethyl 1-oxo-2,3-dihydronaphtho[2,3-e]indole-2-carboxylate?
The InChIKey is QADWJJDYZKEKTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO3/c1-2-23-19(22)17-18(21)16-14-10-12-6-4-3-5-11(12)9-13(14)7-8-15(16)20-17/h3-10,17,20H,2H2,1H3.
What are the key properties of ethyl 1-oxo-2,3-dihydronaphtho[2,3-e]indole-2-carboxylate?
ethyl 1-oxo-2,3-dihydronaphtho[2,3-e]indole-2-carboxylate has a molecular weight of 305.33 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-oxo-2,3-dihydronaphtho[2,3-e]indole-2-carboxylate is sourced from PubChem (CID 2749323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).