7-aminoazepan-2-one;azepan-2-one

C12H23N3O2 — CID 18706035

IUPAC7-aminoazepan-2-one;azepan-2-one
SMILESNC1CCCCC(=O)N1.O=C1CCCCCN1
InChIInChI=1S/C6H12N2O.C6H11NO/c7-5-3-1-2-4-6(9)8-5;8-6-4-2-1-3-5-7-6/h5H,1-4,7H2,(H,8,9);1-5H2,(H,7,8)
InChIKeyCNYGSOGGAKNEAL-UHFFFAOYSA-N
MW241.33 g/mol
LogP0.64
Rot. Bonds

About 7-aminoazepan-2-one;azepan-2-one

7-aminoazepan-2-one;azepan-2-one (PubChem CID 18706035) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 7-aminoazepan-2-one;azepan-2-one.

Molecular Properties

Compound Name7-aminoazepan-2-one;azepan-2-one
PubChem CID18706035
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name7-aminoazepan-2-one;azepan-2-one
SMILESNC1CCCCC(=O)N1.O=C1CCCCCN1
InChIInChI=1S/C6H12N2O.C6H11NO/c7-5-3-1-2-4-6(9)8-5;8-6-4-2-1-3-5-7-6/h5H,1-4,7H2,(H,8,9);1-5H2,(H,7,8)
InChIKeyCNYGSOGGAKNEAL-UHFFFAOYSA-N
XLogP0.64
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 7-aminoazepan-2-one;azepan-2-one?
The IUPAC name of 7-aminoazepan-2-one;azepan-2-one (CID 18706035) is 7-aminoazepan-2-one;azepan-2-one.
What is the SMILES notation for 7-aminoazepan-2-one;azepan-2-one?
The canonical SMILES for 7-aminoazepan-2-one;azepan-2-one is NC1CCCCC(=O)N1.O=C1CCCCCN1.
What is the InChIKey of 7-aminoazepan-2-one;azepan-2-one?
The InChIKey is CNYGSOGGAKNEAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O.C6H11NO/c7-5-3-1-2-4-6(9)8-5;8-6-4-2-1-3-5-7-6/h5H,1-4,7H2,(H,8,9);1-5H2,(H,7,8).
What are the key properties of 7-aminoazepan-2-one;azepan-2-one?
7-aminoazepan-2-one;azepan-2-one has a molecular weight of 241.33 g/mol, XLogP of 0.64, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-aminoazepan-2-one;azepan-2-one is sourced from PubChem (CID 18706035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).