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

C8H10N2O — CID 123439367

IUPACN-(2H-azepin-6-yl)acetamide
SMILESCC(=O)NC1=CC=CCN=C1
InChIInChI=1S/C8H10N2O/c1-7(11)10-8-4-2-3-5-9-6-8/h2-4,6H,5H2,1H3,(H,10,11)
InChIKeyCHIAHFYFOHFTRI-UHFFFAOYSA-N
MW150.18 g/mol
LogP0.65
Rot. Bonds1

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

N-(2H-azepin-6-yl)acetamide (PubChem CID 123439367) has the molecular formula C8H10N2O and a molecular weight of 150.18 g/mol. Its IUPAC name is N-(2H-azepin-6-yl)acetamide.

Molecular Properties

Compound NameN-(2H-azepin-6-yl)acetamide
PubChem CID123439367
Molecular FormulaC8H10N2O
Molecular Weight150.18 g/mol
Exact Mass150.08
IUPAC NameN-(2H-azepin-6-yl)acetamide
SMILESCC(=O)NC1=CC=CCN=C1
InChIInChI=1S/C8H10N2O/c1-7(11)10-8-4-2-3-5-9-6-8/h2-4,6H,5H2,1H3,(H,10,11)
InChIKeyCHIAHFYFOHFTRI-UHFFFAOYSA-N
XLogP0.65
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 ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3E)-5-methyliminopenta-1,3-dien-3-yl]acetamide
CID 23388689
N-(5-methyliminopenta-1,3-dien-3-yl)acetamide
CID 74046699
(2E)-N-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-2-hydroxyiminoacetamide
CID 89186759
N-[(2E,4Z)-1-methyliminohexa-2,4-dien-3-yl]acetamide
CID 90091431
N-(3-methyliminoprop-1-en-2-yl)prop-2-enamide
CID 90098249
(5E)-6-methylidene-5-prop-2-enylidenepyrazin-2-one
CID 117932079
(6E)-5-methylidene-6-prop-2-enylidenepyrazin-2-one
CID 117932083
6-ethenyl-5-[(Z)-prop-1-enyl]-1H-pyrazin-2-one
CID 134292775
N-[(1E)-1-(prop-2-enylideneamino)buta-1,3-dien-2-yl]acetamide
CID 137490218
N-[(E)-1-(prop-2-enylideneamino)prop-1-en-2-yl]acetamide
CID 137490373
N-(4-carbamoyliminobut-2-en-2-yl)prop-2-enamide
CID 141236563
ethane;5-ethenyl-6-[(Z)-prop-1-enyl]-1H-pyrazin-2-one
CID 141943612

Frequently Asked Questions

What is the IUPAC name of N-(2H-azepin-6-yl)acetamide?
The IUPAC name of N-(2H-azepin-6-yl)acetamide (CID 123439367) is N-(2H-azepin-6-yl)acetamide.
What is the SMILES notation for N-(2H-azepin-6-yl)acetamide?
The canonical SMILES for N-(2H-azepin-6-yl)acetamide is CC(=O)NC1=CC=CCN=C1.
What is the InChIKey of N-(2H-azepin-6-yl)acetamide?
The InChIKey is CHIAHFYFOHFTRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O/c1-7(11)10-8-4-2-3-5-9-6-8/h2-4,6H,5H2,1H3,(H,10,11).
What are the key properties of N-(2H-azepin-6-yl)acetamide?
N-(2H-azepin-6-yl)acetamide has a molecular weight of 150.18 g/mol, XLogP of 0.65, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2H-azepin-6-yl)acetamide is sourced from PubChem (CID 123439367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).