ethyl 2-(3-oxo-2,4-dihydro-1H-carbazol-9-yl)acetate

C16H17NO3 — CID 11737332

IUPACethyl 2-(3-oxo-2,4-dihydro-1H-carbazol-9-yl)acetate
SMILESCCOC(=O)Cn1c2c(c3ccccc31)CC(=O)CC2
InChIInChI=1S/C16H17NO3/c1-2-20-16(19)10-17-14-6-4-3-5-12(14)13-9-11(18)7-8-15(13)17/h3-6H,2,7-10H2,1H3
InChIKeyBGDGAQDAGYBCDQ-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.26
Rot. Bonds3

About ethyl 2-(3-oxo-2,4-dihydro-1H-carbazol-9-yl)acetate

ethyl 2-(3-oxo-2,4-dihydro-1H-carbazol-9-yl)acetate (PubChem CID 11737332) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is ethyl 2-(3-oxo-2,4-dihydro-1H-carbazol-9-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(3-oxo-2,4-dihydro-1H-carbazol-9-yl)acetate
PubChem CID11737332
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Nameethyl 2-(3-oxo-2,4-dihydro-1H-carbazol-9-yl)acetate
SMILESCCOC(=O)Cn1c2c(c3ccccc31)CC(=O)CC2
InChIInChI=1S/C16H17NO3/c1-2-20-16(19)10-17-14-6-4-3-5-12(14)13-9-11(18)7-8-15(13)17/h3-6H,2,7-10H2,1H3
InChIKeyBGDGAQDAGYBCDQ-UHFFFAOYSA-N
XLogP2.26
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-oxo-2,4-dihydro-1H-carbazol-9-yl)acetate?
The IUPAC name of ethyl 2-(3-oxo-2,4-dihydro-1H-carbazol-9-yl)acetate (CID 11737332) is ethyl 2-(3-oxo-2,4-dihydro-1H-carbazol-9-yl)acetate.
What is the SMILES notation for ethyl 2-(3-oxo-2,4-dihydro-1H-carbazol-9-yl)acetate?
The canonical SMILES for ethyl 2-(3-oxo-2,4-dihydro-1H-carbazol-9-yl)acetate is CCOC(=O)Cn1c2c(c3ccccc31)CC(=O)CC2.
What is the InChIKey of ethyl 2-(3-oxo-2,4-dihydro-1H-carbazol-9-yl)acetate?
The InChIKey is BGDGAQDAGYBCDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-2-20-16(19)10-17-14-6-4-3-5-12(14)13-9-11(18)7-8-15(13)17/h3-6H,2,7-10H2,1H3.
What are the key properties of ethyl 2-(3-oxo-2,4-dihydro-1H-carbazol-9-yl)acetate?
ethyl 2-(3-oxo-2,4-dihydro-1H-carbazol-9-yl)acetate has a molecular weight of 271.32 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-oxo-2,4-dihydro-1H-carbazol-9-yl)acetate is sourced from PubChem (CID 11737332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).