N-(4H-azepin-5-yl)acetamide

C8H10N2O — CID 143108469

IUPACN-(4H-azepin-5-yl)acetamide
SMILESCC(=O)NC1=CC=NC=CC1
InChIInChI=1S/C8H10N2O/c1-7(11)10-8-3-2-5-9-6-4-8/h2,4-6H,3H2,1H3,(H,10,11)
InChIKeyNCSWKTGGDBPTOK-UHFFFAOYSA-N
MW150.18 g/mol
LogP0.99
Rot. Bonds1

About N-(4H-azepin-5-yl)acetamide

N-(4H-azepin-5-yl)acetamide (PubChem CID 143108469) has the molecular formula C8H10N2O and a molecular weight of 150.18 g/mol. Its IUPAC name is N-(4H-azepin-5-yl)acetamide.

Molecular Properties

Compound NameN-(4H-azepin-5-yl)acetamide
PubChem CID143108469
Molecular FormulaC8H10N2O
Molecular Weight150.18 g/mol
Exact Mass150.08
IUPAC NameN-(4H-azepin-5-yl)acetamide
SMILESCC(=O)NC1=CC=NC=CC1
InChIInChI=1S/C8H10N2O/c1-7(11)10-8-3-2-5-9-6-4-8/h2,4-6H,3H2,1H3,(H,10,11)
InChIKeyNCSWKTGGDBPTOK-UHFFFAOYSA-N
XLogP0.99
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4H-azepin-5-yl)acetamide?
The IUPAC name of N-(4H-azepin-5-yl)acetamide (CID 143108469) is N-(4H-azepin-5-yl)acetamide.
What is the SMILES notation for N-(4H-azepin-5-yl)acetamide?
The canonical SMILES for N-(4H-azepin-5-yl)acetamide is CC(=O)NC1=CC=NC=CC1.
What is the InChIKey of N-(4H-azepin-5-yl)acetamide?
The InChIKey is NCSWKTGGDBPTOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O/c1-7(11)10-8-3-2-5-9-6-4-8/h2,4-6H,3H2,1H3,(H,10,11).
What are the key properties of N-(4H-azepin-5-yl)acetamide?
N-(4H-azepin-5-yl)acetamide has a molecular weight of 150.18 g/mol, XLogP of 0.99, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4H-azepin-5-yl)acetamide is sourced from PubChem (CID 143108469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).