2-(2-oxobenzo[cd]indol-1-yl)-N-(oxolan-2-ylmethyl)acetamide

C18H18N2O3 — CID 2947859

IUPAC2-(2-oxobenzo[cd]indol-1-yl)-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(CN1C(=O)c2cccc3cccc1c23)NCC1CCCO1
InChIInChI=1S/C18H18N2O3/c21-16(19-10-13-6-3-9-23-13)11-20-15-8-2-5-12-4-1-7-14(17(12)15)18(20)22/h1-2,4-5,7-8,13H,3,6,9-11H2,(H,19,21)
InChIKeyVVKPUAPJGHWAIV-UHFFFAOYSA-N
MW310.35 g/mol
LogP2.10
Rot. Bonds4

About 2-(2-oxobenzo[cd]indol-1-yl)-N-(oxolan-2-ylmethyl)acetamide

2-(2-oxobenzo[cd]indol-1-yl)-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 2947859) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is 2-(2-oxobenzo[cd]indol-1-yl)-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2-oxobenzo[cd]indol-1-yl)-N-(oxolan-2-ylmethyl)acetamide
PubChem CID2947859
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name2-(2-oxobenzo[cd]indol-1-yl)-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(CN1C(=O)c2cccc3cccc1c23)NCC1CCCO1
InChIInChI=1S/C18H18N2O3/c21-16(19-10-13-6-3-9-23-13)11-20-15-8-2-5-12-4-1-7-14(17(12)15)18(20)22/h1-2,4-5,7-8,13H,3,6,9-11H2,(H,19,21)
InChIKeyVVKPUAPJGHWAIV-UHFFFAOYSA-N
XLogP2.10
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-oxobenzo[cd]indol-1-yl)-N-(oxolan-2-ylmethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxobenzo[cd]indol-1-yl)-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-(2-oxobenzo[cd]indol-1-yl)-N-(oxolan-2-ylmethyl)acetamide (CID 2947859) is 2-(2-oxobenzo[cd]indol-1-yl)-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(2-oxobenzo[cd]indol-1-yl)-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(2-oxobenzo[cd]indol-1-yl)-N-(oxolan-2-ylmethyl)acetamide is O=C(CN1C(=O)c2cccc3cccc1c23)NCC1CCCO1.
What is the InChIKey of 2-(2-oxobenzo[cd]indol-1-yl)-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is VVKPUAPJGHWAIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c21-16(19-10-13-6-3-9-23-13)11-20-15-8-2-5-12-4-1-7-14(17(12)15)18(20)22/h1-2,4-5,7-8,13H,3,6,9-11H2,(H,19,21).
What are the key properties of 2-(2-oxobenzo[cd]indol-1-yl)-N-(oxolan-2-ylmethyl)acetamide?
2-(2-oxobenzo[cd]indol-1-yl)-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 310.35 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxobenzo[cd]indol-1-yl)-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 2947859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).