1-acetyl-3-aminoazepan-2-one

C8H14N2O2 — CID 21101829

IUPAC1-acetyl-3-aminoazepan-2-one
SMILESCC(=O)N1CCCCC(N)C1=O
InChIInChI=1S/C8H14N2O2/c1-6(11)10-5-3-2-4-7(9)8(10)12/h7H,2-5,9H2,1H3
InChIKeyXAMZPQMJRZEHRI-UHFFFAOYSA-N
MW170.21 g/mol
LogP-0.13
Rot. Bonds

About 1-acetyl-3-aminoazepan-2-one

1-acetyl-3-aminoazepan-2-one (PubChem CID 21101829) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 1-acetyl-3-aminoazepan-2-one.

Molecular Properties

Compound Name1-acetyl-3-aminoazepan-2-one
PubChem CID21101829
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name1-acetyl-3-aminoazepan-2-one
SMILESCC(=O)N1CCCCC(N)C1=O
InChIInChI=1S/C8H14N2O2/c1-6(11)10-5-3-2-4-7(9)8(10)12/h7H,2-5,9H2,1H3
InChIKeyXAMZPQMJRZEHRI-UHFFFAOYSA-N
XLogP-0.13
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

D-2-Aminohexano-6-lactam
CID 439823
L-2-aminohexano-6-lactam
CID 440599
2,2-dimethyl-N-[(3S)-2-oxoazepan-3-yl]propanamide
CID 11735999
2H-Azepin-2-one, 3-aminohexahydro-
CID 102463
N-[2-(hexanoylamino)propyl]hexanamide
CID 4431095
N-(2-oxoazepan-3-yl)acetamide
CID 14289832
3-(dimethylamino)hexahydro-2H-azepin-2-one
CID 112206
hexahydro-3-(methylamino)-2H-azepin-2-one
CID 6455199
(2S)-2-amino-N-[(2S)-1-(methylamino)-1-oxohexan-2-yl]hexanamide
CID 10563118
(S)-2-Amino-hexanoic acid pentylamide
CID 44403370
1-((S)-2-aminobutanoyl)-N-butylazepane-2-carboxamide
CID 44421592
(S)-2-Acetamido-6-aminohexanamide
CID 7021885

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-3-aminoazepan-2-one?
The IUPAC name of 1-acetyl-3-aminoazepan-2-one (CID 21101829) is 1-acetyl-3-aminoazepan-2-one.
What is the SMILES notation for 1-acetyl-3-aminoazepan-2-one?
The canonical SMILES for 1-acetyl-3-aminoazepan-2-one is CC(=O)N1CCCCC(N)C1=O.
What is the InChIKey of 1-acetyl-3-aminoazepan-2-one?
The InChIKey is XAMZPQMJRZEHRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-6(11)10-5-3-2-4-7(9)8(10)12/h7H,2-5,9H2,1H3.
What are the key properties of 1-acetyl-3-aminoazepan-2-one?
1-acetyl-3-aminoazepan-2-one has a molecular weight of 170.21 g/mol, XLogP of -0.13, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-3-aminoazepan-2-one is sourced from PubChem (CID 21101829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).