(4R)-4-aminoazepan-2-one

C6H12N2O — CID 18648126

IUPAC(4R)-4-aminoazepan-2-one
SMILESN[C@@H]1CCCNC(=O)C1
InChIInChI=1S/C6H12N2O/c7-5-2-1-3-8-6(9)4-5/h5H,1-4,7H2,(H,8,9)/t5-/m1/s1
InChIKeyVTQGYRVGBASLDF-RXMQYKEDSA-N
MW128.18 g/mol
LogP-0.39
Rot. Bonds

About (4R)-4-aminoazepan-2-one

(4R)-4-aminoazepan-2-one (PubChem CID 18648126) has the molecular formula C6H12N2O and a molecular weight of 128.18 g/mol. Its IUPAC name is (4R)-4-aminoazepan-2-one.

Molecular Properties

Compound Name(4R)-4-aminoazepan-2-one
PubChem CID18648126
Molecular FormulaC6H12N2O
Molecular Weight128.18 g/mol
Exact Mass128.09
IUPAC Name(4R)-4-aminoazepan-2-one
SMILESN[C@@H]1CCCNC(=O)C1
InChIInChI=1S/C6H12N2O/c7-5-2-1-3-8-6(9)4-5/h5H,1-4,7H2,(H,8,9)/t5-/m1/s1
InChIKeyVTQGYRVGBASLDF-RXMQYKEDSA-N
XLogP-0.39
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.18
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (4R)-4-aminoazepan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4R)-4-aminoazepan-2-one?
The IUPAC name of (4R)-4-aminoazepan-2-one (CID 18648126) is (4R)-4-aminoazepan-2-one.
What is the SMILES notation for (4R)-4-aminoazepan-2-one?
The canonical SMILES for (4R)-4-aminoazepan-2-one is N[C@@H]1CCCNC(=O)C1.
What is the InChIKey of (4R)-4-aminoazepan-2-one?
The InChIKey is VTQGYRVGBASLDF-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H12N2O/c7-5-2-1-3-8-6(9)4-5/h5H,1-4,7H2,(H,8,9)/t5-/m1/s1.
What are the key properties of (4R)-4-aminoazepan-2-one?
(4R)-4-aminoazepan-2-one has a molecular weight of 128.18 g/mol, XLogP of -0.39, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-aminoazepan-2-one is sourced from PubChem (CID 18648126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).