N,N-dimethyl-2-(2-oxobenzo[cd]indol-1-yl)acetamide

C15H14N2O2 — CID 1084147

IUPACN,N-dimethyl-2-(2-oxobenzo[cd]indol-1-yl)acetamide
SMILESCN(C)C(=O)CN1C(=O)c2cccc3cccc1c23
InChIInChI=1S/C15H14N2O2/c1-16(2)13(18)9-17-12-8-4-6-10-5-3-7-11(14(10)12)15(17)19/h3-8H,9H2,1-2H3
InChIKeyZIFUVKCRSHMXHZ-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.89
Rot. Bonds2

About N,N-dimethyl-2-(2-oxobenzo[cd]indol-1-yl)acetamide

N,N-dimethyl-2-(2-oxobenzo[cd]indol-1-yl)acetamide (PubChem CID 1084147) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is N,N-dimethyl-2-(2-oxobenzo[cd]indol-1-yl)acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-(2-oxobenzo[cd]indol-1-yl)acetamide
PubChem CID1084147
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC NameN,N-dimethyl-2-(2-oxobenzo[cd]indol-1-yl)acetamide
SMILESCN(C)C(=O)CN1C(=O)c2cccc3cccc1c23
InChIInChI=1S/C15H14N2O2/c1-16(2)13(18)9-17-12-8-4-6-10-5-3-7-11(14(10)12)15(17)19/h3-8H,9H2,1-2H3
InChIKeyZIFUVKCRSHMXHZ-UHFFFAOYSA-N
XLogP1.89
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(2-oxobenzo[cd]indol-1-yl)acetamide?
The IUPAC name of N,N-dimethyl-2-(2-oxobenzo[cd]indol-1-yl)acetamide (CID 1084147) is N,N-dimethyl-2-(2-oxobenzo[cd]indol-1-yl)acetamide.
What is the SMILES notation for N,N-dimethyl-2-(2-oxobenzo[cd]indol-1-yl)acetamide?
The canonical SMILES for N,N-dimethyl-2-(2-oxobenzo[cd]indol-1-yl)acetamide is CN(C)C(=O)CN1C(=O)c2cccc3cccc1c23.
What is the InChIKey of N,N-dimethyl-2-(2-oxobenzo[cd]indol-1-yl)acetamide?
The InChIKey is ZIFUVKCRSHMXHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-16(2)13(18)9-17-12-8-4-6-10-5-3-7-11(14(10)12)15(17)19/h3-8H,9H2,1-2H3.
What are the key properties of N,N-dimethyl-2-(2-oxobenzo[cd]indol-1-yl)acetamide?
N,N-dimethyl-2-(2-oxobenzo[cd]indol-1-yl)acetamide has a molecular weight of 254.29 g/mol, XLogP of 1.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(2-oxobenzo[cd]indol-1-yl)acetamide is sourced from PubChem (CID 1084147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).