N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)acetamide

C8H14N2O — CID 2313026

IUPACN-(3,4,5,6-tetrahydro-2H-azepin-7-yl)acetamide
SMILESCC(=O)NC1=NCCCCC1
InChIInChI=1S/C8H14N2O/c1-7(11)10-8-5-3-2-4-6-9-8/h2-6H2,1H3,(H,9,10,11)
InChIKeyMZCNOHLJUVTJKQ-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.10
Rot. Bonds

About N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)acetamide

N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)acetamide (PubChem CID 2313026) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)acetamide.

Molecular Properties

Compound NameN-(3,4,5,6-tetrahydro-2H-azepin-7-yl)acetamide
PubChem CID2313026
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC NameN-(3,4,5,6-tetrahydro-2H-azepin-7-yl)acetamide
SMILESCC(=O)NC1=NCCCCC1
InChIInChI=1S/C8H14N2O/c1-7(11)10-8-5-3-2-4-6-9-8/h2-6H2,1H3,(H,9,10,11)
InChIKeyMZCNOHLJUVTJKQ-UHFFFAOYSA-N
XLogP1.10
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(3,4,5,6-tetrahydro-2H-azepin-7-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-(3,4,5,6-tetrahydro-2H-azepin-7-yl)acetamide?
The IUPAC name of N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)acetamide (CID 2313026) is N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)acetamide.
What is the SMILES notation for N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)acetamide?
The canonical SMILES for N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)acetamide is CC(=O)NC1=NCCCCC1.
What is the InChIKey of N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)acetamide?
The InChIKey is MZCNOHLJUVTJKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-7(11)10-8-5-3-2-4-6-9-8/h2-6H2,1H3,(H,9,10,11).
What are the key properties of N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)acetamide?
N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)acetamide has a molecular weight of 154.21 g/mol, XLogP of 1.10, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)acetamide is sourced from PubChem (CID 2313026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).