(3R)-3-amino-1,3-dihydroazepin-2-one

C6H8N2O — CID 141312487

IUPAC(3R)-3-amino-1,3-dihydroazepin-2-one
SMILESN[C@@H]1C=CC=CNC1=O
InChIInChI=1S/C6H8N2O/c7-5-3-1-2-4-8-6(5)9/h1-5H,7H2,(H,8,9)/t5-/m1/s1
InChIKeyYWVKCMJAIOPHKI-RXMQYKEDSA-N
MW124.14 g/mol
LogP-0.49
Rot. Bonds

About (3R)-3-amino-1,3-dihydroazepin-2-one

(3R)-3-amino-1,3-dihydroazepin-2-one (PubChem CID 141312487) has the molecular formula C6H8N2O and a molecular weight of 124.14 g/mol. Its IUPAC name is (3R)-3-amino-1,3-dihydroazepin-2-one.

Molecular Properties

Compound Name(3R)-3-amino-1,3-dihydroazepin-2-one
PubChem CID141312487
Molecular FormulaC6H8N2O
Molecular Weight124.14 g/mol
Exact Mass124.06
IUPAC Name(3R)-3-amino-1,3-dihydroazepin-2-one
SMILESN[C@@H]1C=CC=CNC1=O
InChIInChI=1S/C6H8N2O/c7-5-3-1-2-4-8-6(5)9/h1-5H,7H2,(H,8,9)/t5-/m1/s1
InChIKeyYWVKCMJAIOPHKI-RXMQYKEDSA-N
XLogP-0.49
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.14
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-1,3-dihydroazepin-2-one?
The IUPAC name of (3R)-3-amino-1,3-dihydroazepin-2-one (CID 141312487) is (3R)-3-amino-1,3-dihydroazepin-2-one.
What is the SMILES notation for (3R)-3-amino-1,3-dihydroazepin-2-one?
The canonical SMILES for (3R)-3-amino-1,3-dihydroazepin-2-one is N[C@@H]1C=CC=CNC1=O.
What is the InChIKey of (3R)-3-amino-1,3-dihydroazepin-2-one?
The InChIKey is YWVKCMJAIOPHKI-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H8N2O/c7-5-3-1-2-4-8-6(5)9/h1-5H,7H2,(H,8,9)/t5-/m1/s1.
What are the key properties of (3R)-3-amino-1,3-dihydroazepin-2-one?
(3R)-3-amino-1,3-dihydroazepin-2-one has a molecular weight of 124.14 g/mol, XLogP of -0.49, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-1,3-dihydroazepin-2-one is sourced from PubChem (CID 141312487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).