1-[2-(oxolan-2-yl)ethyl]benzo[cd]indol-2-one

C17H17NO2 — CID 116619003

IUPAC1-[2-(oxolan-2-yl)ethyl]benzo[cd]indol-2-one
SMILESO=C1c2cccc3cccc(c23)N1CCC1CCCO1
InChIInChI=1S/C17H17NO2/c19-17-14-7-1-4-12-5-2-8-15(16(12)14)18(17)10-9-13-6-3-11-20-13/h1-2,4-5,7-8,13H,3,6,9-11H2
InChIKeyUEPNWMSIFLZSHM-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.37
Rot. Bonds3

About 1-[2-(oxolan-2-yl)ethyl]benzo[cd]indol-2-one

1-[2-(oxolan-2-yl)ethyl]benzo[cd]indol-2-one (PubChem CID 116619003) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 1-[2-(oxolan-2-yl)ethyl]benzo[cd]indol-2-one.

Molecular Properties

Compound Name1-[2-(oxolan-2-yl)ethyl]benzo[cd]indol-2-one
PubChem CID116619003
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name1-[2-(oxolan-2-yl)ethyl]benzo[cd]indol-2-one
SMILESO=C1c2cccc3cccc(c23)N1CCC1CCCO1
InChIInChI=1S/C17H17NO2/c19-17-14-7-1-4-12-5-2-8-15(16(12)14)18(17)10-9-13-6-3-11-20-13/h1-2,4-5,7-8,13H,3,6,9-11H2
InChIKeyUEPNWMSIFLZSHM-UHFFFAOYSA-N
XLogP3.37
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(oxolan-2-yl)ethyl]benzo[cd]indol-2-one?
The IUPAC name of 1-[2-(oxolan-2-yl)ethyl]benzo[cd]indol-2-one (CID 116619003) is 1-[2-(oxolan-2-yl)ethyl]benzo[cd]indol-2-one.
What is the SMILES notation for 1-[2-(oxolan-2-yl)ethyl]benzo[cd]indol-2-one?
The canonical SMILES for 1-[2-(oxolan-2-yl)ethyl]benzo[cd]indol-2-one is O=C1c2cccc3cccc(c23)N1CCC1CCCO1.
What is the InChIKey of 1-[2-(oxolan-2-yl)ethyl]benzo[cd]indol-2-one?
The InChIKey is UEPNWMSIFLZSHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c19-17-14-7-1-4-12-5-2-8-15(16(12)14)18(17)10-9-13-6-3-11-20-13/h1-2,4-5,7-8,13H,3,6,9-11H2.
What are the key properties of 1-[2-(oxolan-2-yl)ethyl]benzo[cd]indol-2-one?
1-[2-(oxolan-2-yl)ethyl]benzo[cd]indol-2-one has a molecular weight of 267.33 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(oxolan-2-yl)ethyl]benzo[cd]indol-2-one is sourced from PubChem (CID 116619003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).