9-ethyl-7-methoxy-3,4-dihydro-2H-carbazol-1-one

C15H17NO2 — CID 752128

IUPAC9-ethyl-7-methoxy-3,4-dihydro-2H-carbazol-1-one
SMILESCCn1c2c(c3ccc(OC)cc31)CCCC2=O
InChIInChI=1S/C15H17NO2/c1-3-16-13-9-10(18-2)7-8-11(13)12-5-4-6-14(17)15(12)16/h7-9H,3-6H2,1-2H3
InChIKeyILVZKTJIYSKSKT-UHFFFAOYSA-N
MW243.31 g/mol
LogP3.19
Rot. Bonds2

About 9-ethyl-7-methoxy-3,4-dihydro-2H-carbazol-1-one

9-ethyl-7-methoxy-3,4-dihydro-2H-carbazol-1-one (PubChem CID 752128) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 9-ethyl-7-methoxy-3,4-dihydro-2H-carbazol-1-one.

Molecular Properties

Compound Name9-ethyl-7-methoxy-3,4-dihydro-2H-carbazol-1-one
PubChem CID752128
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name9-ethyl-7-methoxy-3,4-dihydro-2H-carbazol-1-one
SMILESCCn1c2c(c3ccc(OC)cc31)CCCC2=O
InChIInChI=1S/C15H17NO2/c1-3-16-13-9-10(18-2)7-8-11(13)12-5-4-6-14(17)15(12)16/h7-9H,3-6H2,1-2H3
InChIKeyILVZKTJIYSKSKT-UHFFFAOYSA-N
XLogP3.19
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 9-ethyl-7-methoxy-3,4-dihydro-2H-carbazol-1-one?
The IUPAC name of 9-ethyl-7-methoxy-3,4-dihydro-2H-carbazol-1-one (CID 752128) is 9-ethyl-7-methoxy-3,4-dihydro-2H-carbazol-1-one.
What is the SMILES notation for 9-ethyl-7-methoxy-3,4-dihydro-2H-carbazol-1-one?
The canonical SMILES for 9-ethyl-7-methoxy-3,4-dihydro-2H-carbazol-1-one is CCn1c2c(c3ccc(OC)cc31)CCCC2=O.
What is the InChIKey of 9-ethyl-7-methoxy-3,4-dihydro-2H-carbazol-1-one?
The InChIKey is ILVZKTJIYSKSKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-3-16-13-9-10(18-2)7-8-11(13)12-5-4-6-14(17)15(12)16/h7-9H,3-6H2,1-2H3.
What are the key properties of 9-ethyl-7-methoxy-3,4-dihydro-2H-carbazol-1-one?
9-ethyl-7-methoxy-3,4-dihydro-2H-carbazol-1-one has a molecular weight of 243.31 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-7-methoxy-3,4-dihydro-2H-carbazol-1-one is sourced from PubChem (CID 752128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).