1-(1-methylazepan-2-yl)ethanone

C9H17NO — CID 22955964

IUPAC1-(1-methylazepan-2-yl)ethanone
SMILESCC(=O)C1CCCCCN1C
InChIInChI=1S/C9H17NO/c1-8(11)9-6-4-3-5-7-10(9)2/h9H,3-7H2,1-2H3
InChIKeyXYEVGNGPDXZCLK-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.45
Rot. Bonds1

About 1-(1-methylazepan-2-yl)ethanone

1-(1-methylazepan-2-yl)ethanone (PubChem CID 22955964) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 1-(1-methylazepan-2-yl)ethanone.

Molecular Properties

Compound Name1-(1-methylazepan-2-yl)ethanone
PubChem CID22955964
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name1-(1-methylazepan-2-yl)ethanone
SMILESCC(=O)C1CCCCCN1C
InChIInChI=1S/C9H17NO/c1-8(11)9-6-4-3-5-7-10(9)2/h9H,3-7H2,1-2H3
InChIKeyXYEVGNGPDXZCLK-UHFFFAOYSA-N
XLogP1.45
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylazepan-2-yl)ethanone?
The IUPAC name of 1-(1-methylazepan-2-yl)ethanone (CID 22955964) is 1-(1-methylazepan-2-yl)ethanone.
What is the SMILES notation for 1-(1-methylazepan-2-yl)ethanone?
The canonical SMILES for 1-(1-methylazepan-2-yl)ethanone is CC(=O)C1CCCCCN1C.
What is the InChIKey of 1-(1-methylazepan-2-yl)ethanone?
The InChIKey is XYEVGNGPDXZCLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-8(11)9-6-4-3-5-7-10(9)2/h9H,3-7H2,1-2H3.
What are the key properties of 1-(1-methylazepan-2-yl)ethanone?
1-(1-methylazepan-2-yl)ethanone has a molecular weight of 155.24 g/mol, XLogP of 1.45, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylazepan-2-yl)ethanone is sourced from PubChem (CID 22955964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).