9-ethyl-4-methylidene-3-phenylpyrano[3,4-b]indol-1-one

C20H17NO2 — CID 71490239

IUPAC9-ethyl-4-methylidene-3-phenylpyrano[3,4-b]indol-1-one
SMILESC=C1c2c(n(CC)c3ccccc23)C(=O)OC1c1ccccc1
InChIInChI=1S/C20H17NO2/c1-3-21-16-12-8-7-11-15(16)17-13(2)19(23-20(22)18(17)21)14-9-5-4-6-10-14/h4-12,19H,2-3H2,1H3
InChIKeyZZKNPLVZDQRHOM-UHFFFAOYSA-N
MW303.36 g/mol
LogP4.59
Rot. Bonds2

About 9-ethyl-4-methylidene-3-phenylpyrano[3,4-b]indol-1-one

9-ethyl-4-methylidene-3-phenylpyrano[3,4-b]indol-1-one (PubChem CID 71490239) has the molecular formula C20H17NO2 and a molecular weight of 303.36 g/mol. Its IUPAC name is 9-ethyl-4-methylidene-3-phenylpyrano[3,4-b]indol-1-one.

Molecular Properties

Compound Name9-ethyl-4-methylidene-3-phenylpyrano[3,4-b]indol-1-one
PubChem CID71490239
Molecular FormulaC20H17NO2
Molecular Weight303.36 g/mol
Exact Mass303.13
IUPAC Name9-ethyl-4-methylidene-3-phenylpyrano[3,4-b]indol-1-one
SMILESC=C1c2c(n(CC)c3ccccc23)C(=O)OC1c1ccccc1
InChIInChI=1S/C20H17NO2/c1-3-21-16-12-8-7-11-15(16)17-13(2)19(23-20(22)18(17)21)14-9-5-4-6-10-14/h4-12,19H,2-3H2,1H3
InChIKeyZZKNPLVZDQRHOM-UHFFFAOYSA-N
XLogP4.59
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-ethyl-4-methylidene-3-phenylpyrano[3,4-b]indol-1-one?
The IUPAC name of 9-ethyl-4-methylidene-3-phenylpyrano[3,4-b]indol-1-one (CID 71490239) is 9-ethyl-4-methylidene-3-phenylpyrano[3,4-b]indol-1-one.
What is the SMILES notation for 9-ethyl-4-methylidene-3-phenylpyrano[3,4-b]indol-1-one?
The canonical SMILES for 9-ethyl-4-methylidene-3-phenylpyrano[3,4-b]indol-1-one is C=C1c2c(n(CC)c3ccccc23)C(=O)OC1c1ccccc1.
What is the InChIKey of 9-ethyl-4-methylidene-3-phenylpyrano[3,4-b]indol-1-one?
The InChIKey is ZZKNPLVZDQRHOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO2/c1-3-21-16-12-8-7-11-15(16)17-13(2)19(23-20(22)18(17)21)14-9-5-4-6-10-14/h4-12,19H,2-3H2,1H3.
What are the key properties of 9-ethyl-4-methylidene-3-phenylpyrano[3,4-b]indol-1-one?
9-ethyl-4-methylidene-3-phenylpyrano[3,4-b]indol-1-one has a molecular weight of 303.36 g/mol, XLogP of 4.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-4-methylidene-3-phenylpyrano[3,4-b]indol-1-one is sourced from PubChem (CID 71490239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).