5-amino-2,3,5,6-tetrahydroazepin-4-one

C6H10N2O — CID 57096534

IUPAC5-amino-2,3,5,6-tetrahydroazepin-4-one
SMILESNC1CC=NCCC1=O
InChIInChI=1S/C6H10N2O/c7-5-1-3-8-4-2-6(5)9/h3,5H,1-2,4,7H2
InChIKeyQVHTXBYSUDZGCD-UHFFFAOYSA-N
MW126.16 g/mol
LogP-0.25
Rot. Bonds

About 5-amino-2,3,5,6-tetrahydroazepin-4-one

5-amino-2,3,5,6-tetrahydroazepin-4-one (PubChem CID 57096534) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is 5-amino-2,3,5,6-tetrahydroazepin-4-one.

Molecular Properties

Compound Name5-amino-2,3,5,6-tetrahydroazepin-4-one
PubChem CID57096534
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Name5-amino-2,3,5,6-tetrahydroazepin-4-one
SMILESNC1CC=NCCC1=O
InChIInChI=1S/C6H10N2O/c7-5-1-3-8-4-2-6(5)9/h3,5H,1-2,4,7H2
InChIKeyQVHTXBYSUDZGCD-UHFFFAOYSA-N
XLogP-0.25
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,2-Diamino-5-iminopentan-3-one
CID 122172832
5-amino-2-methyl-4,5-dihydro-2H-pyridin-3-one
CID 91136729
3-Amino-5,6-bis(methylimino)hexan-2-one
CID 123186515
3-Amino-6-ethylimino-5-iminohexan-2-one
CID 123531158
3-Amino-1,6-diiminohexan-2-one
CID 140346678

Frequently Asked Questions

What is the IUPAC name of 5-amino-2,3,5,6-tetrahydroazepin-4-one?
The IUPAC name of 5-amino-2,3,5,6-tetrahydroazepin-4-one (CID 57096534) is 5-amino-2,3,5,6-tetrahydroazepin-4-one.
What is the SMILES notation for 5-amino-2,3,5,6-tetrahydroazepin-4-one?
The canonical SMILES for 5-amino-2,3,5,6-tetrahydroazepin-4-one is NC1CC=NCCC1=O.
What is the InChIKey of 5-amino-2,3,5,6-tetrahydroazepin-4-one?
The InChIKey is QVHTXBYSUDZGCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O/c7-5-1-3-8-4-2-6(5)9/h3,5H,1-2,4,7H2.
What are the key properties of 5-amino-2,3,5,6-tetrahydroazepin-4-one?
5-amino-2,3,5,6-tetrahydroazepin-4-one has a molecular weight of 126.16 g/mol, XLogP of -0.25, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,3,5,6-tetrahydroazepin-4-one is sourced from PubChem (CID 57096534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).