N-[4-(methylamino)-5-oxocyclohepta-1,3,6-trien-1-yl]acetamide

C10H12N2O2 — CID 28942

IUPACN-[4-(methylamino)-5-oxocyclohepta-1,3,6-trien-1-yl]acetamide
SMILESCNc1ccc(NC(C)=O)ccc1=O
InChIInChI=1S/C10H12N2O2/c1-7(13)12-8-3-5-9(11-2)10(14)6-4-8/h3-6H,1-2H3,(H,11,14)(H,12,13)
InChIKeyRFMKTEVOKJTKOQ-UHFFFAOYSA-N
MW192.22 g/mol
LogP1.05
Rot. Bonds2

About N-[4-(methylamino)-5-oxocyclohepta-1,3,6-trien-1-yl]acetamide

N-[4-(methylamino)-5-oxocyclohepta-1,3,6-trien-1-yl]acetamide (PubChem CID 28942) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is N-[4-(methylamino)-5-oxocyclohepta-1,3,6-trien-1-yl]acetamide.

Molecular Properties

Compound NameN-[4-(methylamino)-5-oxocyclohepta-1,3,6-trien-1-yl]acetamide
PubChem CID28942
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC NameN-[4-(methylamino)-5-oxocyclohepta-1,3,6-trien-1-yl]acetamide
SMILESCNc1ccc(NC(C)=O)ccc1=O
InChIInChI=1S/C10H12N2O2/c1-7(13)12-8-3-5-9(11-2)10(14)6-4-8/h3-6H,1-2H3,(H,11,14)(H,12,13)
InChIKeyRFMKTEVOKJTKOQ-UHFFFAOYSA-N
XLogP1.05
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(methylamino)-5-oxocyclohepta-1,3,6-trien-1-yl]acetamide?
The IUPAC name of N-[4-(methylamino)-5-oxocyclohepta-1,3,6-trien-1-yl]acetamide (CID 28942) is N-[4-(methylamino)-5-oxocyclohepta-1,3,6-trien-1-yl]acetamide.
What is the SMILES notation for N-[4-(methylamino)-5-oxocyclohepta-1,3,6-trien-1-yl]acetamide?
The canonical SMILES for N-[4-(methylamino)-5-oxocyclohepta-1,3,6-trien-1-yl]acetamide is CNc1ccc(NC(C)=O)ccc1=O.
What is the InChIKey of N-[4-(methylamino)-5-oxocyclohepta-1,3,6-trien-1-yl]acetamide?
The InChIKey is RFMKTEVOKJTKOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c1-7(13)12-8-3-5-9(11-2)10(14)6-4-8/h3-6H,1-2H3,(H,11,14)(H,12,13).
What are the key properties of N-[4-(methylamino)-5-oxocyclohepta-1,3,6-trien-1-yl]acetamide?
N-[4-(methylamino)-5-oxocyclohepta-1,3,6-trien-1-yl]acetamide has a molecular weight of 192.22 g/mol, XLogP of 1.05, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(methylamino)-5-oxocyclohepta-1,3,6-trien-1-yl]acetamide is sourced from PubChem (CID 28942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).