6-amino-1,2,3,4-tetrahydroazepin-7-one

C6H10N2O — CID 126480546

IUPAC6-amino-1,2,3,4-tetrahydroazepin-7-one
SMILESNC1=CCCCNC1=O
InChIInChI=1S/C6H10N2O/c7-5-3-1-2-4-8-6(5)9/h3H,1-2,4,7H2,(H,8,9)
InChIKeyYQZIDQOSTXSFAP-UHFFFAOYSA-N
MW126.16 g/mol
LogP-0.26
Rot. Bonds

About 6-amino-1,2,3,4-tetrahydroazepin-7-one

6-amino-1,2,3,4-tetrahydroazepin-7-one (PubChem CID 126480546) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is 6-amino-1,2,3,4-tetrahydroazepin-7-one.

Molecular Properties

Compound Name6-amino-1,2,3,4-tetrahydroazepin-7-one
PubChem CID126480546
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Name6-amino-1,2,3,4-tetrahydroazepin-7-one
SMILESNC1=CCCCNC1=O
InChIInChI=1S/C6H10N2O/c7-5-3-1-2-4-8-6(5)9/h3H,1-2,4,7H2,(H,8,9)
InChIKeyYQZIDQOSTXSFAP-UHFFFAOYSA-N
XLogP-0.26
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1,2,3,4-tetrahydroazepin-7-one?
The IUPAC name of 6-amino-1,2,3,4-tetrahydroazepin-7-one (CID 126480546) is 6-amino-1,2,3,4-tetrahydroazepin-7-one.
What is the SMILES notation for 6-amino-1,2,3,4-tetrahydroazepin-7-one?
The canonical SMILES for 6-amino-1,2,3,4-tetrahydroazepin-7-one is NC1=CCCCNC1=O.
What is the InChIKey of 6-amino-1,2,3,4-tetrahydroazepin-7-one?
The InChIKey is YQZIDQOSTXSFAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O/c7-5-3-1-2-4-8-6(5)9/h3H,1-2,4,7H2,(H,8,9).
What are the key properties of 6-amino-1,2,3,4-tetrahydroazepin-7-one?
6-amino-1,2,3,4-tetrahydroazepin-7-one has a molecular weight of 126.16 g/mol, XLogP of -0.26, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1,2,3,4-tetrahydroazepin-7-one is sourced from PubChem (CID 126480546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).