N-methyl-2-(3-methyl-3H-azepin-6-yl)acetamide

C10H14N2O — CID 154964950

IUPACN-methyl-2-(3-methyl-3H-azepin-6-yl)acetamide
SMILESCNC(=O)CC1=CN=CC(C)C=C1
InChIInChI=1S/C10H14N2O/c1-8-3-4-9(7-12-6-8)5-10(13)11-2/h3-4,6-8H,5H2,1-2H3,(H,11,13)
InChIKeyBTQWWEAFSBOPDJ-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.28
Rot. Bonds2

About N-methyl-2-(3-methyl-3H-azepin-6-yl)acetamide

N-methyl-2-(3-methyl-3H-azepin-6-yl)acetamide (PubChem CID 154964950) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is N-methyl-2-(3-methyl-3H-azepin-6-yl)acetamide.

Molecular Properties

Compound NameN-methyl-2-(3-methyl-3H-azepin-6-yl)acetamide
PubChem CID154964950
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC NameN-methyl-2-(3-methyl-3H-azepin-6-yl)acetamide
SMILESCNC(=O)CC1=CN=CC(C)C=C1
InChIInChI=1S/C10H14N2O/c1-8-3-4-9(7-12-6-8)5-10(13)11-2/h3-4,6-8H,5H2,1-2H3,(H,11,13)
InChIKeyBTQWWEAFSBOPDJ-UHFFFAOYSA-N
XLogP1.28
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-methyl-2-(3-methyl-3H-azepin-6-yl)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 N-methyl-2-(3-methyl-3H-azepin-6-yl)acetamide?
The IUPAC name of N-methyl-2-(3-methyl-3H-azepin-6-yl)acetamide (CID 154964950) is N-methyl-2-(3-methyl-3H-azepin-6-yl)acetamide.
What is the SMILES notation for N-methyl-2-(3-methyl-3H-azepin-6-yl)acetamide?
The canonical SMILES for N-methyl-2-(3-methyl-3H-azepin-6-yl)acetamide is CNC(=O)CC1=CN=CC(C)C=C1.
What is the InChIKey of N-methyl-2-(3-methyl-3H-azepin-6-yl)acetamide?
The InChIKey is BTQWWEAFSBOPDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-8-3-4-9(7-12-6-8)5-10(13)11-2/h3-4,6-8H,5H2,1-2H3,(H,11,13).
What are the key properties of N-methyl-2-(3-methyl-3H-azepin-6-yl)acetamide?
N-methyl-2-(3-methyl-3H-azepin-6-yl)acetamide has a molecular weight of 178.23 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(3-methyl-3H-azepin-6-yl)acetamide is sourced from PubChem (CID 154964950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).